4-(azepan-1-yl)-N-quinolin-3-ylbenzamide

C22H23N3O — CID 66815489

IUPAC4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H23N3O/c26-22(24-19-15-18-7-3-4-8-21(18)23-16-19)17-9-11-20(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12,15-16H,1-2,5-6,13-14H2,(H,24,26)
InChIKeyNHOHPDTWUKPWQN-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.87
Rot. Bonds3

About 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide

4-(azepan-1-yl)-N-quinolin-3-ylbenzamide (PubChem CID 66815489) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
PubChem CID66815489
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H23N3O/c26-22(24-19-15-18-7-3-4-8-21(18)23-16-19)17-9-11-20(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12,15-16H,1-2,5-6,13-14H2,(H,24,26)
InChIKeyNHOHPDTWUKPWQN-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815466
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
1-cyclohexyl-N-quinolin-3-ylindole-5-carboxamide
CID 66815788

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide (CID 66815489) is 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide?
The InChIKey is NHOHPDTWUKPWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(24-19-15-18-7-3-4-8-21(18)23-16-19)17-9-11-20(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12,15-16H,1-2,5-6,13-14H2,(H,24,26).
What are the key properties of 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide?
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide has a molecular weight of 345.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 66815489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).