3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one

C17H17N3O — CID 3031710

IUPAC3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(N(C)C)c1
InChIInChI=1S/C17H17N3O/c1-12-18-16-10-5-4-9-15(16)17(21)20(12)14-8-6-7-13(11-14)19(2)3/h4-11H,1-3H3
InChIKeyNODFGLINXZVGGN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds2

About 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one

3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one (PubChem CID 3031710) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
PubChem CID3031710
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(N(C)C)c1
InChIInChI=1S/C17H17N3O/c1-12-18-16-10-5-4-9-15(16)17(21)20(12)14-8-6-7-13(11-14)19(2)3/h4-11H,1-3H3
InChIKeyNODFGLINXZVGGN-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one (CID 3031710) is 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1cccc(N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one?
The InChIKey is NODFGLINXZVGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-18-16-10-5-4-9-15(16)17(21)20(12)14-8-6-7-13(11-14)19(2)3/h4-11H,1-3H3.
What are the key properties of 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one?
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 3031710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).