3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one

C16H13ClN2O — CID 3031678

IUPAC3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
SMILESCc1cccc(-n2c(C)nc3ccccc3c2=O)c1Cl
InChIInChI=1S/C16H13ClN2O/c1-10-6-5-9-14(15(10)17)19-11(2)18-13-8-4-3-7-12(13)16(19)20/h3-9H,1-2H3
InChIKeyYRXFDSQXGABHKH-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.66
Rot. Bonds1

About 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one

3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one (PubChem CID 3031678) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
PubChem CID3031678
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
SMILESCc1cccc(-n2c(C)nc3ccccc3c2=O)c1Cl
InChIInChI=1S/C16H13ClN2O/c1-10-6-5-9-14(15(10)17)19-11(2)18-13-8-4-3-7-12(13)16(19)20/h3-9H,1-2H3
InChIKeyYRXFDSQXGABHKH-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
CID 131876705
CID 131876705
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
2-methyl-3-(2-methyl-3-trimethylsilyloxyphenyl)quinazolin-4-one
CID 629564
3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one
CID 146345883
2-methyl-3-[2-(1,1,2,2,2-pentadeuterioethyl)phenyl]quinazolin-4-one
CID 71316434
2-methyl-3-(2-morpholin-4-ylphenyl)quinazolin-4-one
CID 45258529
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one;hydrochloride
CID 24845750
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
CID 3031710
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930
2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3492101

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one (CID 3031678) is 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one is Cc1cccc(-n2c(C)nc3ccccc3c2=O)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one?
The InChIKey is YRXFDSQXGABHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-6-5-9-14(15(10)17)19-11(2)18-13-8-4-3-7-12(13)16(19)20/h3-9H,1-2H3.
What are the key properties of 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one?
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one has a molecular weight of 284.75 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 3031678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).