CAS 57513-54-9 3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester (HCID 54682929)

기본 정보

CAS: 57513-54-9
표준 SMILES: CCOC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIKey: IGIHLDXSSGANGR-UHFFFAOYSA-N
분자식: C13H13NO4
평균 분자량: 247.25 g/mol
단동위원소 질량: 247.0844579

이름 및 식별자

우선 이름: 3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
IUPAC: ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
현지명: 1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLICACID에틸에스테르
영어명: 1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
분자식: C13H13NO4
분자량: 247.25

이름 및 동의어

57513-54-91,2-Dihydro-4-hydroxy-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl esterBRN 04842633-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl esterDTXSID60206122Ethyl 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-quinolinecarboxylateRefChem:505270DTXCID60128613ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate686280-06-8Ethyl 2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylateethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylate

이름 더 보기

1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLICACID에틸에스테르ETHYL 4-HYDROXY-1-METHYLCARBOSTYRIL-3-CARBOXYLATE3-[ethoxy(hydroxy)methylidene]-1-methylquinoline-2,4-dione1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-quinolinecarboxylicaciethylester

ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylateMFCD00117242IGIHLDXSSGANGR-UHFFFAOYSA-NMaybridge1_001330Oprea1_013352Oprea1_777788AKOS 74AURORA KA-4534

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 402

실험 및 물리화학적 성질

Solubility>37.1 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

저장 조건: 2 · 2-8°C, stored under nitrogen

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.