N-(azepan-4-yl)-2-methylquinoline-4-carboxamide

C17H21N3O — CID 105058000

IUPACN-(azepan-4-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCNCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-12-11-15(14-6-2-3-7-16(14)19-12)17(21)20-13-5-4-9-18-10-8-13/h2-3,6-7,11,13,18H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyADIDFCWNLPMATO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.42
Rot. Bonds2

About N-(azepan-4-yl)-2-methylquinoline-4-carboxamide

N-(azepan-4-yl)-2-methylquinoline-4-carboxamide (PubChem CID 105058000) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-methylquinoline-4-carboxamide
PubChem CID105058000
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(azepan-4-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCNCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-12-11-15(14-6-2-3-7-16(14)19-12)17(21)20-13-5-4-9-18-10-8-13/h2-3,6-7,11,13,18H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyADIDFCWNLPMATO-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
4-amino-N-piperidin-4-ylquinoline-2-carboxamide
CID 71141710
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(azepan-4-yl)-2-methylquinoline-4-carboxamide (CID 105058000) is N-(azepan-4-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCCNCC2)c2ccccc2n1.
What is the InChIKey of N-(azepan-4-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is ADIDFCWNLPMATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-15(14-6-2-3-7-16(14)19-12)17(21)20-13-5-4-9-18-10-8-13/h2-3,6-7,11,13,18H,4-5,8-10H2,1H3,(H,20,21).
What are the key properties of N-(azepan-4-yl)-2-methylquinoline-4-carboxamide?
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 105058000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).