4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one

C19H20N2O2 — CID 4620021

IUPAC4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
SMILESCOc1cccc(-c2nc(=O)n(C(C)C)c3cc(C)ccc23)c1
InChIInChI=1S/C19H20N2O2/c1-12(2)21-17-10-13(3)8-9-16(17)18(20-19(21)22)14-6-5-7-15(11-14)23-4/h5-12H,1-4H3
InChIKeyMUSWFTJLBAWCHJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.96
Rot. Bonds3

About 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one

4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one (PubChem CID 4620021) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
PubChem CID4620021
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
SMILESCOc1cccc(-c2nc(=O)n(C(C)C)c3cc(C)ccc23)c1
InChIInChI=1S/C19H20N2O2/c1-12(2)21-17-10-13(3)8-9-16(17)18(20-19(21)22)14-6-5-7-15(11-14)23-4/h5-12H,1-4H3
InChIKeyMUSWFTJLBAWCHJ-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
CID 125483876
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-(3-methoxyphenyl)-7-methylnaphthalene
CID 59399527
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 71193032
1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 141464565
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058
8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11695477

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one?
The IUPAC name of 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one (CID 4620021) is 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one is COc1cccc(-c2nc(=O)n(C(C)C)c3cc(C)ccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one?
The InChIKey is MUSWFTJLBAWCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)21-17-10-13(3)8-9-16(17)18(20-19(21)22)14-6-5-7-15(11-14)23-4/h5-12H,1-4H3.
What are the key properties of 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one?
4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one is sourced from PubChem (CID 4620021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).