4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one

C18H22ClNO3 — CID 166879599

IUPAC4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one
SMILESCOCCC(C)n1cc(OC)c(-c2cc(Cl)ccc2C)cc1=O
InChIInChI=1S/C18H22ClNO3/c1-12-5-6-14(19)9-15(12)16-10-18(21)20(11-17(16)23-4)13(2)7-8-22-3/h5-6,9-11,13H,7-8H2,1-4H3
InChIKeyQLLPHOXVTWBEHP-UHFFFAOYSA-N
MW335.83 g/mol
LogP4.08
Rot. Bonds6

About 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one

4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one (PubChem CID 166879599) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one
PubChem CID166879599
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one
SMILESCOCCC(C)n1cc(OC)c(-c2cc(Cl)ccc2C)cc1=O
InChIInChI=1S/C18H22ClNO3/c1-12-5-6-14(19)9-15(12)16-10-18(21)20(11-17(16)23-4)13(2)7-8-22-3/h5-6,9-11,13H,7-8H2,1-4H3
InChIKeyQLLPHOXVTWBEHP-UHFFFAOYSA-N
XLogP4.08
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
CID 135270547
4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one
CID 138655957
2-[4-[5-chloro-2-(1,2,4-triazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid
CID 135205840
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)-4-methoxybutanamide
CID 166879666
2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205913
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205382
butyl 2-[4-[5-chloro-2-(1,2,4-triazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoate
CID 150160816
4-[[2-[4-(5-chloro-2-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzoic acid
CID 155323174
2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 122550195
4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
CID 152716565
4-[3-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]benzoic acid
CID 160679709
4-[[2-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]benzoic acid
CID 135206033

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one (CID 166879599) is 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one is COCCC(C)n1cc(OC)c(-c2cc(Cl)ccc2C)cc1=O.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one?
The InChIKey is QLLPHOXVTWBEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-12-5-6-14(19)9-15(12)16-10-18(21)20(11-17(16)23-4)13(2)7-8-22-3/h5-6,9-11,13H,7-8H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one?
4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one has a molecular weight of 335.83 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one is sourced from PubChem (CID 166879599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).