N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide

C25H28N2O — CID 4122728

IUPACN-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCCCCC1
InChIInChI=1S/C25H28N2O/c1-18-23(25(28)26-20-14-8-3-2-4-9-15-20)21-16-10-11-17-22(21)27-24(18)19-12-6-5-7-13-19/h5-7,10-13,16-17,20H,2-4,8-9,14-15H2,1H3,(H,26,28)
InChIKeyNOPKWIDVFVREOY-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.05
Rot. Bonds3

About N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide

N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 4122728) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID4122728
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCCCCC1
InChIInChI=1S/C25H28N2O/c1-18-23(25(28)26-20-14-8-3-2-4-9-15-20)21-16-10-11-17-22(21)27-24(18)19-12-6-5-7-13-19/h5-7,10-13,16-17,20H,2-4,8-9,14-15H2,1H3,(H,26,28)
InChIKeyNOPKWIDVFVREOY-UHFFFAOYSA-N
XLogP6.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287873
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
CID 19715596
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
N-cycloheptyl-2-methylquinazoline-4-carboxamide
CID 110702850
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3348119
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide (CID 4122728) is N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is NOPKWIDVFVREOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-23(25(28)26-20-14-8-3-2-4-9-15-20)21-16-10-11-17-22(21)27-24(18)19-12-6-5-7-13-19/h5-7,10-13,16-17,20H,2-4,8-9,14-15H2,1H3,(H,26,28).
What are the key properties of N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide?
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4122728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).