azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone

C17H19FN2O — CID 4732287

IUPACazepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H19FN2O/c1-12-10-15(14-11-13(18)6-7-16(14)19-12)17(21)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyAXPWHVIPIWAOAQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.70
Rot. Bonds1

About azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone

azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone (PubChem CID 4732287) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
PubChem CID4732287
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Nameazepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H19FN2O/c1-12-10-15(14-11-13(18)6-7-16(14)19-12)17(21)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyAXPWHVIPIWAOAQ-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164693939
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
2,3-dihydroindol-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 664825
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131938558
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone (CID 4732287) is azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCCCCC2)c2cc(F)ccc2n1.
What is the InChIKey of azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone?
The InChIKey is AXPWHVIPIWAOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-10-15(14-11-13(18)6-7-16(14)19-12)17(21)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone?
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone has a molecular weight of 286.35 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 4732287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).