기본 정보
- 표준 SMILES
CCN1c2ncc(CCOc3cc[n+]([O-])c4ccccc34)cc2C(=O)N(C)c2ccc(F)nc21- InChIKey
IYVGQIHIUKTPAB-UHFFFAOYSA-N- 분자식
- C25H22FN5O3
- 평균 분자량
- 459.5 g/mol
이름 및 식별자
- 우선 이름
- 5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}-ethyl}-6H-dipyrido[3,2-b:2',3'-e] [l,4]diazepin-6-one
- IUPAC
- 2-ethyl-5-fluoro-9-methyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
이름 및 동의어
SCHEMBL5743230IYVGQIHIUKTPAB-UHFFFAOYSA-N11-ethyl-2-fluoro-5-methyl-8-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]dipyrido[[?],[?]][1,4]diazepin-6-one5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}-ethyl}-6H-dipyrido[3,2-b:2',3'-e] [l,4]diazepin-6-one5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}-ethyl}-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-2-fluoro-5,11-dihydro-5-methyl-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-
데이터베이스 식별자
- PubChem CID
- 3010655
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 84 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 716
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