3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one

C17H18N2O2 — CID 919612

IUPAC3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1
InChIInChI=1S/C17H18N2O2/c1-17(2)18-15-7-5-4-6-14(15)16(20)19(17)12-8-10-13(21-3)11-9-12/h4-11,18H,1-3H3
InChIKeyRPLFBIOEIFQSEL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one

3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one (PubChem CID 919612) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
PubChem CID919612
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1
InChIInChI=1S/C17H18N2O2/c1-17(2)18-15-7-5-4-6-14(15)16(20)19(17)12-8-10-13(21-3)11-9-12/h4-11,18H,1-3H3
InChIKeyRPLFBIOEIFQSEL-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
3-[(2-Methoxyphenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 866360
6-Methoxy-2-phenyl-4-quinolone
CID 124348
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-Methoxy-9(10H)-acridone
CID 407032
Dictyoquinazol C
CID 11099949
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
CID 4906475
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
6-fluoro-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4191572

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one (CID 919612) is 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one?
The InChIKey is RPLFBIOEIFQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(2)18-15-7-5-4-6-14(15)16(20)19(17)12-8-10-13(21-3)11-9-12/h4-11,18H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one?
3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one is sourced from PubChem (CID 919612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).