기본 정보
- CAS
91187-82-5- 표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNC)C3)nc21- InChIKey
KADAPIRHXVRMJV-UHFFFAOYSA-N- 분자식
- C17H21FN4O3
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.15976875
이름 및 식별자
- 우선 이름
- 1-Ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
이름 및 동의어
91187-82-51,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1-ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acidSCHEMBL9437319DTXSID80919904KADAPIRHXVRMJV-UHFFFAOYSA-N1-ethyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)-methyl]-1-pyrrolidinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid1-ETHYL-6-FLUORO-1,4-DIHYDRO-7-[3-[(METHYLAMINO)METHYL]-1-PYRROLIDINYL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID
데이터베이스 식별자
- CAS
91187-82-5- PubChem CID
- 483502
- DTXSID
DTXSID80919904- Nikkaji
- J772.236B
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 570
관련 반응
3건
화합물 노트
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