8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one

C17H16N2O2 — CID 164627429

IUPAC8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one
SMILESCOc1ccccc1-c1cc(C)cc2c(=O)n(C)cnc12
InChIInChI=1S/C17H16N2O2/c1-11-8-13(12-6-4-5-7-15(12)21-3)16-14(9-11)17(20)19(2)10-18-16/h4-10H,1-3H3
InChIKeyPPWKCZLIHJETKB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.92
Rot. Bonds2

About 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one

8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one (PubChem CID 164627429) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one
PubChem CID164627429
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one
SMILESCOc1ccccc1-c1cc(C)cc2c(=O)n(C)cnc12
InChIInChI=1S/C17H16N2O2/c1-11-8-13(12-6-4-5-7-15(12)21-3)16-14(9-11)17(20)19(2)10-18-16/h4-10H,1-3H3
InChIKeyPPWKCZLIHJETKB-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-fluorophenoxy)butyl]-4(3H)-quinazolinone
CID 2216097
3-[4-(4-ethoxyphenoxy)butyl]-4(3H)-quinazolinone
CID 2582718
Sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide
CID 3773368
T5567366
CID 7874936
(6aS)-2-(4-methoxyphenyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 9948473
3-[(4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide
CID 10237938
N-[(3-methoxyphenyl)methyl]-4-oxo-6-phenyl-3H-quinazoline-2-carboxamide
CID 135996014
N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-3H-quinazoline-2-carboxamide
CID 136379534
4(3H)-Quinazolinone, 3-(2-((1,1'-biphenyl)-4-yloxy)ethyl)-
CID 64007
3-[4-(2,6-dimethylphenoxy)butyl]-4(3H)-quinazolinone
CID 2215934
3-{2-[2-(4-tert-butylphenoxy)ethoxy]ethyl}-4(3H)-quinazolinone
CID 2216525
3-[4-(mesityloxy)butyl]-4(3H)-quinazolinone
CID 2216661

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one (CID 164627429) is 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one is COc1ccccc1-c1cc(C)cc2c(=O)n(C)cnc12.
What is the InChIKey of 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is PPWKCZLIHJETKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-8-13(12-6-4-5-7-15(12)21-3)16-14(9-11)17(20)19(2)10-18-16/h4-10H,1-3H3.
What are the key properties of 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one?
8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 164627429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).