N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide

C28H32N2O — CID 3554949

IUPACN,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H32N2O/c31-28(30(22-14-6-2-7-15-22)23-16-8-3-9-17-23)25-20-27(21-12-4-1-5-13-21)29-26-19-11-10-18-24(25)26/h1,4-5,10-13,18-20,22-23H,2-3,6-9,14-17H2
InChIKeySJLAICRCRUFLFO-UHFFFAOYSA-N
MW412.58 g/mol
LogP7.01
Rot. Bonds4

About N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide

N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide (PubChem CID 3554949) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
PubChem CID3554949
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H32N2O/c31-28(30(22-14-6-2-7-15-22)23-16-8-3-9-17-23)25-20-27(21-12-4-1-5-13-21)29-26-19-11-10-18-24(25)26/h1,4-5,10-13,18-20,22-23H,2-3,6-9,14-17H2
InChIKeySJLAICRCRUFLFO-UHFFFAOYSA-N
XLogP7.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide
CID 4610681
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866894
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide (CID 3554949) is N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide is O=C(c1cc(-c2ccccc2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide?
The InChIKey is SJLAICRCRUFLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c31-28(30(22-14-6-2-7-15-22)23-16-8-3-9-17-23)25-20-27(21-12-4-1-5-13-21)29-26-19-11-10-18-24(25)26/h1,4-5,10-13,18-20,22-23H,2-3,6-9,14-17H2.
What are the key properties of N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide?
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3554949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).