N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide

C24H26N2O3 — CID 71462946

IUPACN-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H26N2O3/c1-29-19-13-11-17(12-14-19)15-26-16-21(23(27)20-9-5-6-10-22(20)26)24(28)25-18-7-3-2-4-8-18/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3,(H,25,28)
InChIKeyOYASZMONHSVVKJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.12
Rot. Bonds5

About N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide

N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 71462946) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID71462946
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H26N2O3/c1-29-19-13-11-17(12-14-19)15-26-16-21(23(27)20-9-5-6-10-22(20)26)24(28)25-18-7-3-2-4-8-18/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3,(H,25,28)
InChIKeyOYASZMONHSVVKJ-UHFFFAOYSA-N
XLogP4.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41109175
1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide
CID 155106826
1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
CID 177344342
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562649
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155949410

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (CID 71462946) is N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is COc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is OYASZMONHSVVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-29-19-13-11-17(12-14-19)15-26-16-21(23(27)20-9-5-6-10-22(20)26)24(28)25-18-7-3-2-4-8-18/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 71462946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).