1-Ethyl-6-fluoro-7-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

HCID 461885

기본 정보

CAS
91188-27-1
표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC4(CCN(C)C4)C3)nc21
InChIKey
DAUQIWGEPVCCFO-UHFFFAOYSA-N
분자식
C19H23FN4O3
평균 분자량
374.4 g/mol
단동위원소 질량
374.17541882

이름 및 식별자

우선 이름
1-Ethyl-6-fluoro-7-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC
1-ethyl-6-fluoro-7-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

이름 및 동의어

1-Ethyl-6-fluoro-1,4-dihydro-7-(7-methyl-2,7-diazaspiro[4.4]non-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acidPD 1145071-ethyl-6-fluoro-7-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acidCHEMBL73955SCHEMBL9645766DAUQIWGEPVCCFO-UHFFFAOYSA-NDTXSID80110786391188-27-11,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(7-methyl-2,7-diazaspiro[4.4]non-2-yl)-4-oxo-

데이터베이스 식별자

CAS
91188-27-1
PubChem CID
461885
DTXSID
DTXSID801107863
ChEMBL
CHEMBL73955
Nikkaji
J336.874B

물성

구조 계산 물성

XLogP
0.9
극성 표면적
77 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
27

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