3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

C23H24N2O3 — CID 110616654

IUPAC3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cc3ccccc3[nH]c2=O)C2CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-28-19-10-8-16(9-11-19)20(15-6-7-15)13-22(26)24-14-18-12-17-4-2-3-5-21(17)25-23(18)27/h2-5,8-12,15,20H,6-7,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUYHCYONKWPJRBI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds7

About 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110616654) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110616654
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cc3ccccc3[nH]c2=O)C2CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-28-19-10-8-16(9-11-19)20(15-6-7-15)13-22(26)24-14-18-12-17-4-2-3-5-21(17)25-23(18)27/h2-5,8-12,15,20H,6-7,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUYHCYONKWPJRBI-UHFFFAOYSA-N
XLogP3.74
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110616654) is 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is COc1ccc(C(CC(=O)NCc2cc3ccccc3[nH]c2=O)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is UYHCYONKWPJRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-28-19-10-8-16(9-11-19)20(15-6-7-15)13-22(26)24-14-18-12-17-4-2-3-5-21(17)25-23(18)27/h2-5,8-12,15,20H,6-7,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 110616654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).