2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide

C23H24N4O — CID 19955732

IUPAC2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
SMILESNC(N)=NC(=O)c1cc(-c2cccc(C3CCCCC3)c2)nc2ccccc12
InChIInChI=1S/C23H24N4O/c24-23(25)27-22(28)19-14-21(26-20-12-5-4-11-18(19)20)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H4,24,25,27,28)
InChIKeyPMSPVWBBAVDJTH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.36
Rot. Bonds3

About 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide

2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide (PubChem CID 19955732) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
PubChem CID19955732
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
SMILESNC(N)=NC(=O)c1cc(-c2cccc(C3CCCCC3)c2)nc2ccccc12
InChIInChI=1S/C23H24N4O/c24-23(25)27-22(28)19-14-21(26-20-12-5-4-11-18(19)20)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H4,24,25,27,28)
InChIKeyPMSPVWBBAVDJTH-UHFFFAOYSA-N
XLogP4.36
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905
N-(diaminomethylidene)-2-[3-(3,3-dimethylbutan-2-yl)phenyl]quinoline-4-carboxamide
CID 19955997
2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955850
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094
N-(diaminomethylidene)-2-[3-(ethoxymethoxy)phenyl]quinoline-4-carboxamide
CID 19955653
N-(diaminomethylidene)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide;methanesulfonic acid
CID 23204013
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 19955910
N-(diaminomethylidene)-2-[4-(2,2-dimethylbutyl)phenyl]quinoline-4-carboxamide
CID 22372954
N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide
CID 54075171
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
The IUPAC name of 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide (CID 19955732) is 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide is NC(N)=NC(=O)c1cc(-c2cccc(C3CCCCC3)c2)nc2ccccc12.
What is the InChIKey of 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
The InChIKey is PMSPVWBBAVDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c24-23(25)27-22(28)19-14-21(26-20-12-5-4-11-18(19)20)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H4,24,25,27,28).
What are the key properties of 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide?
2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide is sourced from PubChem (CID 19955732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).