9-fluoro-2,3-dihydro3-methyl-10-[3-[(methylamino)methyl]-1-pyrrolidinyl]-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

HCID 13772838

기본 정보

표준 SMILES
CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4C)C1
InChIKey
CORUDFFPRPGEST-UHFFFAOYSA-N
분자식
C19H22FN3O4
평균 분자량
375.4 g/mol
단동위원소 질량
375.15943435

이름 및 식별자

우선 이름
9-fluoro-2,3-dihydro3-methyl-10-[3-[(methylamino)methyl]-1-pyrrolidinyl]-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
IUPAC
7-fluoro-2-methyl-6-[3-(methylaminomethyl)pyrrolidin-1-yl]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

이름 및 동의어

CHEMBL178480SCHEMBL10675120CORUDFFPRPGEST-UHFFFAOYSA-N9-fluoro-2,3-dihydro-3-methyl-10-[3-[(methylamino)methyl]-1-pyrrolidinyl]-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid9-fluoro-2,3-dihydro3-methyl-10-[3-[(methylamino)methyl]-1-pyrrolidinyl]-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

데이터베이스 식별자

PubChem CID
13772838
ChEMBL
CHEMBL178480

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
82.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
27

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4건

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