N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C24H25N3O3 — CID 78881229

IUPACN-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H25N3O3/c1-30-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)26-21)22(28)27-24(23(25)29)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H2,25,29)(H,27,28)
InChIKeyFEKPDGCNQNHICA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.83
Rot. Bonds5

About N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 78881229) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID78881229
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H25N3O3/c1-30-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)26-21)22(28)27-24(23(25)29)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H2,25,29)(H,27,28)
InChIKeyFEKPDGCNQNHICA-UHFFFAOYSA-N
XLogP3.83
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55572641
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
CID 52829074
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 78881229) is N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is FEKPDGCNQNHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)26-21)22(28)27-24(23(25)29)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H2,25,29)(H,27,28).
What are the key properties of N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 78881229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).