6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one

C14H9Cl2N3O — CID 38963427

IUPAC6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1ccc(Cl)nc1
InChIInChI=1S/C14H9Cl2N3O/c15-10-2-3-12-11(5-10)14(20)19(8-18-12)7-9-1-4-13(16)17-6-9/h1-6,8H,7H2
InChIKeyLXIPLAAVVRCRTQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.15
Rot. Bonds2

About 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one

6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one (PubChem CID 38963427) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
PubChem CID38963427
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1ccc(Cl)nc1
InChIInChI=1S/C14H9Cl2N3O/c15-10-2-3-12-11(5-10)14(20)19(8-18-12)7-9-1-4-13(16)17-6-9/h1-6,8H,7H2
InChIKeyLXIPLAAVVRCRTQ-UHFFFAOYSA-N
XLogP3.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
3-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 8536688
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
2-[4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]phenyl]benzonitrile
CID 24622682
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 30834389
6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 38963071
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
6-chloro-3-[2-(4-chlorophenyl)sulfanylethyl]quinazolin-4-one
CID 8638845
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-chloroquinazolin-4-one
CID 8005582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one (CID 38963427) is 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1Cc1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one?
The InChIKey is LXIPLAAVVRCRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-10-2-3-12-11(5-10)14(20)19(8-18-12)7-9-1-4-13(16)17-6-9/h1-6,8H,7H2.
What are the key properties of 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one?
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one has a molecular weight of 306.15 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one is sourced from PubChem (CID 38963427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).