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

C22H24N2O3 — CID 110619593

IUPAC2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
SMILESCOc1ccc(C(C(=O)NCc2cc3ccccc3[nH]c2=O)C(C)C)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)20(15-8-10-18(27-3)11-9-15)22(26)23-13-17-12-16-6-4-5-7-19(16)24-21(17)25/h4-12,14,20H,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyNUCKXDPQCUTOOG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.59
Rot. Bonds6

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

2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide (PubChem CID 110619593) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
PubChem CID110619593
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
SMILESCOc1ccc(C(C(=O)NCc2cc3ccccc3[nH]c2=O)C(C)C)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)20(15-8-10-18(27-3)11-9-15)22(26)23-13-17-12-16-6-4-5-7-19(16)24-21(17)25/h4-12,14,20H,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyNUCKXDPQCUTOOG-UHFFFAOYSA-N
XLogP3.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide with MolForge

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Related Compounds

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110616654
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
CID 111122564
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619584
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616683
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide (CID 110619593) is 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide is COc1ccc(C(C(=O)NCc2cc3ccccc3[nH]c2=O)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
The InChIKey is NUCKXDPQCUTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(2)20(15-8-10-18(27-3)11-9-15)22(26)23-13-17-12-16-6-4-5-7-19(16)24-21(17)25/h4-12,14,20H,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide has a molecular weight of 364.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide is sourced from PubChem (CID 110619593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).