4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide

C21H22N4O — CID 109218708

IUPAC4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C21H22N4O/c26-21(24-18-9-5-7-16-8-6-11-23-20(16)18)19-15-17(10-12-22-19)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14H2,(H,24,26)
InChIKeyQJEYXEJVCHIVAV-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.26
Rot. Bonds3

About 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide

4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109218708) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109218708
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C21H22N4O/c26-21(24-18-9-5-7-16-8-6-11-23-20(16)18)19-15-17(10-12-22-19)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14H2,(H,24,26)
InChIKeyQJEYXEJVCHIVAV-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
4-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218076
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109218708) is 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is QJEYXEJVCHIVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-18-9-5-7-16-8-6-11-23-20(16)18)19-15-17(10-12-22-19)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14H2,(H,24,26).
What are the key properties of 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109218708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).