methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate

C24H24N2O4 — CID 55561141

IUPACmethyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)CCCC1
InChIInChI=1S/C24H24N2O4/c1-29-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)25-21)22(27)26-24(23(28)30-2)13-5-6-14-24/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27)
InChIKeySUMDTFBNEPSPDH-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.13
Rot. Bonds5

About methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55561141) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID55561141
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namemethyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)CCCC1
InChIInChI=1S/C24H24N2O4/c1-29-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)25-21)22(27)26-24(23(28)30-2)13-5-6-14-24/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27)
InChIKeySUMDTFBNEPSPDH-UHFFFAOYSA-N
XLogP4.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78881229
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-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-[3-(4-methoxyphenyl)pyrazol-1-yl]-2-phenylquinoline-4-carboxamide
CID 175202140
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
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-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate (CID 55561141) is methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)CCCC1.
What is the InChIKey of methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is SUMDTFBNEPSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)25-21)22(27)26-24(23(28)30-2)13-5-6-14-24/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27).
What are the key properties of methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55561141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).