3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide

C23H25N3O — CID 10451096

IUPAC3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C23H25N3O/c27-23(26-21-13-18-9-4-5-12-22(18)25-16-21)19-10-6-11-20(14-19)24-15-17-7-2-1-3-8-17/h4-6,9-14,16-17,24H,1-3,7-8,15H2,(H,26,27)
InChIKeyWQGOPOUBJOPFBJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.48
Rot. Bonds5

About 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide

3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide (PubChem CID 10451096) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
PubChem CID10451096
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C23H25N3O/c27-23(26-21-13-18-9-4-5-12-22(18)25-16-21)19-10-6-11-20(14-19)24-15-17-7-2-1-3-8-17/h4-6,9-14,16-17,24H,1-3,7-8,15H2,(H,26,27)
InChIKeyWQGOPOUBJOPFBJ-UHFFFAOYSA-N
XLogP5.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylprop-2-enamide
CID 66815738
4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide
CID 66815439
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
1-cyclohexyl-N-quinolin-3-ylindole-5-carboxamide
CID 66815788
3-(dipropylamino)-N-quinolin-3-ylbenzamide
CID 66815676
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(piperidin-4-ylmethyl)quinolin-3-amine
CID 79707909
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide (CID 10451096) is 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1cccc(NCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide?
The InChIKey is WQGOPOUBJOPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(26-21-13-18-9-4-5-12-22(18)25-16-21)19-10-6-11-20(14-19)24-15-17-7-2-1-3-8-17/h4-6,9-14,16-17,24H,1-3,7-8,15H2,(H,26,27).
What are the key properties of 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide?
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 10451096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).