2-cyano-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]quinoline-6-carboxamide-1-oxide

HCID 86672970
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCc1cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc(C)c1NC(=O)c1ccc2c(ccc(C#N)[n+]2[O-])c1
InChIKey
DPDYTUDAGXRESW-UHFFFAOYSA-N
분자식
C24H16F9N3O2
평균 분자량
549.4 g/mol

이름 및 식별자

우선 이름
2-cyano-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]quinoline-6-carboxamide-1-oxide
IUPAC
2-cyano-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-1-oxidoquinolin-1-ium-6-carboxamide

이름 및 동의어

2-cyano-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]quinoline-6-carboxamide-1-oxideSCHEMBL135160032-Cyano-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-quinoline-6-carboxamide-1-oxide

데이터베이스 식별자

PubChem CID
86672970

물성

구조 계산 물성

XLogP
6.1
극성 표면적
78.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
12
회전 가능 결합 수
5
무거운 원자 수
38

관련 반응

2건
반응 기록 만들기

화합물 노트

불러오는 중…