3-(3-chloroanilino)-2-methylquinazolin-4-one

C15H12ClN3O — CID 849796

IUPAC3-(3-chloroanilino)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-10-17-14-8-3-2-7-13(14)15(20)19(10)18-12-6-4-5-11(16)9-12/h2-9,18H,1H3
InChIKeySDDOVIHUWROLCN-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.23
Rot. Bonds2

About 3-(3-chloroanilino)-2-methylquinazolin-4-one

3-(3-chloroanilino)-2-methylquinazolin-4-one (PubChem CID 849796) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(3-chloroanilino)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloroanilino)-2-methylquinazolin-4-one
PubChem CID849796
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-(3-chloroanilino)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-10-17-14-8-3-2-7-13(14)15(20)19(10)18-12-6-4-5-11(16)9-12/h2-9,18H,1H3
InChIKeySDDOVIHUWROLCN-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-2-methylquinazolin-4-one?
The IUPAC name of 3-(3-chloroanilino)-2-methylquinazolin-4-one (CID 849796) is 3-(3-chloroanilino)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(3-chloroanilino)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(3-chloroanilino)-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloroanilino)-2-methylquinazolin-4-one?
The InChIKey is SDDOVIHUWROLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10-17-14-8-3-2-7-13(14)15(20)19(10)18-12-6-4-5-11(16)9-12/h2-9,18H,1H3.
What are the key properties of 3-(3-chloroanilino)-2-methylquinazolin-4-one?
3-(3-chloroanilino)-2-methylquinazolin-4-one has a molecular weight of 285.73 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-2-methylquinazolin-4-one is sourced from PubChem (CID 849796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).