1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide

C25H28N2O — CID 139984667

IUPAC1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESCc1ccc(CC2(C(=O)Nc3cnc4ccccc4c3)CCCCC2)cc1C
InChIInChI=1S/C25H28N2O/c1-18-10-11-20(14-19(18)2)16-25(12-6-3-7-13-25)24(28)27-22-15-21-8-4-5-9-23(21)26-17-22/h4-5,8-11,14-15,17H,3,6-7,12-13,16H2,1-2H3,(H,27,28)
InChIKeyCLQBWISHQZWHCZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.98
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide

1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide (PubChem CID 139984667) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide
PubChem CID139984667
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESCc1ccc(CC2(C(=O)Nc3cnc4ccccc4c3)CCCCC2)cc1C
InChIInChI=1S/C25H28N2O/c1-18-10-11-20(14-19(18)2)16-25(12-6-3-7-13-25)24(28)27-22-15-21-8-4-5-9-23(21)26-17-22/h4-5,8-11,14-15,17H,3,6-7,12-13,16H2,1-2H3,(H,27,28)
InChIKeyCLQBWISHQZWHCZ-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880
1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 43704712
3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 63139330
2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 166198053
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
methyl N-quinolin-3-ylcarbamate
CID 19697860
1-cyano-3-methyl-N-quinolin-3-ylcyclobutane-1-carboxamide
CID 80502360
2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide
CID 46942902
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide (CID 139984667) is 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide is Cc1ccc(CC2(C(=O)Nc3cnc4ccccc4c3)CCCCC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide?
The InChIKey is CLQBWISHQZWHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-10-11-20(14-19(18)2)16-25(12-6-3-7-13-25)24(28)27-22-15-21-8-4-5-9-23(21)26-17-22/h4-5,8-11,14-15,17H,3,6-7,12-13,16H2,1-2H3,(H,27,28).
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide?
1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 139984667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).