4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide

C22H26N2O3 — CID 91938677

IUPAC4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2)15-21(26)24(19-8-5-4-7-18(19)22)14-6-9-20(25)23-16-10-12-17(27-3)13-11-16/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3,(H,23,25)
InChIKeyCGVQHNPKQLWWHK-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.13
Rot. Bonds6

About 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide

4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 91938677) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID91938677
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2)15-21(26)24(19-8-5-4-7-18(19)22)14-6-9-20(25)23-16-10-12-17(27-3)13-11-16/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3,(H,23,25)
InChIKeyCGVQHNPKQLWWHK-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
CID 91938678
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide
CID 4756413
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide (CID 91938677) is 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)cc1.
What is the InChIKey of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is CGVQHNPKQLWWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2)15-21(26)24(19-8-5-4-7-18(19)22)14-6-9-20(25)23-16-10-12-17(27-3)13-11-16/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3,(H,23,25).
What are the key properties of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide?
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 366.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 91938677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).