N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide

C25H28N2O3 — CID 3194019

IUPACN-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C25H28N2O3/c1-16-12-17(2)21-14-18(24(28)26-22(21)13-16)15-27(19-8-4-5-9-19)25(29)20-10-6-7-11-23(20)30-3/h6-7,10-14,19H,4-5,8-9,15H2,1-3H3,(H,26,28)
InChIKeyDPNGZUDRMWBOAD-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.74
Rot. Bonds5

About N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide

N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide (PubChem CID 3194019) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
PubChem CID3194019
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C25H28N2O3/c1-16-12-17(2)21-14-18(24(28)26-22(21)13-16)15-27(19-8-4-5-9-19)25(29)20-10-6-7-11-23(20)30-3/h6-7,10-14,19H,4-5,8-9,15H2,1-3H3,(H,26,28)
InChIKeyDPNGZUDRMWBOAD-UHFFFAOYSA-N
XLogP4.74
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide with MolForge

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Related Compounds

1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1462480
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
CID 3194048
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1462484
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 40603487
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea
CID 3177033
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
1-[3-(diethylamino)propyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 3194520
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141207
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1157171
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 1458729
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1453893

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide (CID 3194019) is N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide?
The InChIKey is DPNGZUDRMWBOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-16-12-17(2)21-14-18(24(28)26-22(21)13-16)15-27(19-8-4-5-9-19)25(29)20-10-6-7-11-23(20)30-3/h6-7,10-14,19H,4-5,8-9,15H2,1-3H3,(H,26,28).
What are the key properties of N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide?
N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 3194019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).