6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one

C14H9Cl2N3O — CID 141476314

IUPAC6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
SMILESCn1c(-c2cccnc2Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C14H9Cl2N3O/c1-19-13(9-3-2-6-17-12(9)16)18-11-5-4-8(15)7-10(11)14(19)20/h2-7H,1H3
InChIKeySHEMOYRMRRTEEC-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.30
Rot. Bonds1

About 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one

6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one (PubChem CID 141476314) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
PubChem CID141476314
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
SMILESCn1c(-c2cccnc2Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C14H9Cl2N3O/c1-19-13(9-3-2-6-17-12(9)16)18-11-5-4-8(15)7-10(11)14(19)20/h2-7H,1H3
InChIKeySHEMOYRMRRTEEC-UHFFFAOYSA-N
XLogP3.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one?
The IUPAC name of 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one (CID 141476314) is 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one?
The canonical SMILES for 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one is Cn1c(-c2cccnc2Cl)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one?
The InChIKey is SHEMOYRMRRTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c1-19-13(9-3-2-6-17-12(9)16)18-11-5-4-8(15)7-10(11)14(19)20/h2-7H,1H3.
What are the key properties of 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one?
6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one has a molecular weight of 306.15 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 141476314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).