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

HCID 13853640

기본 정보

표준 SMILES
CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4CC)C1
InChIKey
FJAATHIZUHZYQJ-UHFFFAOYSA-N
분자식
C21H26FN3O4
평균 분자량
403.4 g/mol
단동위원소 질량
403.19073448

이름 및 식별자

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

이름 및 동의어

SCHEMBL10680729FJAATHIZUHZYQJ-UHFFFAOYSA-N10-[3-[(ethylamino) methyl]-1-pyrrolidinyl]-9-fluoro-2,3-dihydro-3-ethyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid10-[3-[(ethylamino)-methyl]-1-pyrrolidinyl]-9-fluoro-2,3-dihydro-3-ethyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid10-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-9-fluoro-2,3-dihydro-3-ethyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

데이터베이스 식별자

PubChem CID
13853640

물성

구조 계산 물성

XLogP
0.7
극성 표면적
82.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
29

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