N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide

C19H25N3O — CID 46291441

IUPACN-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O/c1-15-14-17(16-8-4-5-9-18(16)21-15)19(23)20-10-13-22-11-6-2-3-7-12-22/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,23)
InChIKeyNXTWBUIXVKMXME-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide (PubChem CID 46291441) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
PubChem CID46291441
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O/c1-15-14-17(16-8-4-5-9-18(16)21-15)19(23)20-10-13-22-11-6-2-3-7-12-22/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,23)
InChIKeyNXTWBUIXVKMXME-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 46291561
N-[2-(azepan-1-yl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide
CID 20854587
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
CID 118780364

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide (CID 46291441) is N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCN2CCCCCC2)c2ccccc2n1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is NXTWBUIXVKMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-14-17(16-8-4-5-9-18(16)21-15)19(23)20-10-13-22-11-6-2-3-7-12-22/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46291441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).