N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide

C23H24N2O3 — CID 1457654

IUPACN-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CC3)cc2c1
InChIInChI=1S/C23H24N2O3/c1-3-28-20-10-11-21-17(13-20)12-18(22(26)24-21)14-25(19-8-9-19)23(27)16-6-4-15(2)5-7-16/h4-7,10-13,19H,3,8-9,14H2,1-2H3,(H,24,26)
InChIKeyPASPFDGLECUHSJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.04
Rot. Bonds6

About N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide

N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide (PubChem CID 1457654) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
PubChem CID1457654
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CC3)cc2c1
InChIInChI=1S/C23H24N2O3/c1-3-28-20-10-11-21-17(13-20)12-18(22(26)24-21)14-25(19-8-9-19)23(27)16-6-4-15(2)5-7-16/h4-7,10-13,19H,3,8-9,14H2,1-2H3,(H,24,26)
InChIKeyPASPFDGLECUHSJ-UHFFFAOYSA-N
XLogP4.04
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1459156
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
N-cyclopentyl-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194140
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1457677
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1459162
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172067
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1137364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide (CID 1457654) is N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide is CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CC3)cc2c1.
What is the InChIKey of N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
The InChIKey is PASPFDGLECUHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-28-20-10-11-21-17(13-20)12-18(22(26)24-21)14-25(19-8-9-19)23(27)16-6-4-15(2)5-7-16/h4-7,10-13,19H,3,8-9,14H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 1457654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).