N-(2-methylquinolin-4-yl)azepane-1-carboxamide

C17H21N3O — CID 115882563

IUPACN-(2-methylquinolin-4-yl)azepane-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-13-12-16(14-8-4-5-9-15(14)18-13)19-17(21)20-10-6-2-3-7-11-20/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19,21)
InChIKeyRKFHSHNEVCSVQG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.95
Rot. Bonds1

About N-(2-methylquinolin-4-yl)azepane-1-carboxamide

N-(2-methylquinolin-4-yl)azepane-1-carboxamide (PubChem CID 115882563) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)azepane-1-carboxamide
PubChem CID115882563
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-methylquinolin-4-yl)azepane-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-13-12-16(14-8-4-5-9-15(14)18-13)19-17(21)20-10-6-2-3-7-11-20/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19,21)
InChIKeyRKFHSHNEVCSVQG-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511166
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977
N-(4-fluorophenyl)-4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazine-1-carboxamide
CID 11166837
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 16891935
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinolin-4-amine
CID 71899453
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
N-butyl-4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazine-1-carboxamide
CID 11407286

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)azepane-1-carboxamide?
The IUPAC name of N-(2-methylquinolin-4-yl)azepane-1-carboxamide (CID 115882563) is N-(2-methylquinolin-4-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)azepane-1-carboxamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)azepane-1-carboxamide is Cc1cc(NC(=O)N2CCCCCC2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)azepane-1-carboxamide?
The InChIKey is RKFHSHNEVCSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-12-16(14-8-4-5-9-15(14)18-13)19-17(21)20-10-6-2-3-7-11-20/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19,21).
What are the key properties of N-(2-methylquinolin-4-yl)azepane-1-carboxamide?
N-(2-methylquinolin-4-yl)azepane-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)azepane-1-carboxamide is sourced from PubChem (CID 115882563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).