2-chloro-6-methoxy-6H-quinazolin-4-one

C9H7ClN2O2 — CID 73300459

IUPAC2-chloro-6-methoxy-6H-quinazolin-4-one
SMILESCOC1C=CC2=NC(Cl)=NC(=O)C2=C1
InChIInChI=1S/C9H7ClN2O2/c1-14-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-5H,1H3
InChIKeyZXZPZTFMQDBALX-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.07
Rot. Bonds1

About 2-chloro-6-methoxy-6H-quinazolin-4-one

2-chloro-6-methoxy-6H-quinazolin-4-one (PubChem CID 73300459) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-chloro-6-methoxy-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-methoxy-6H-quinazolin-4-one
PubChem CID73300459
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-chloro-6-methoxy-6H-quinazolin-4-one
SMILESCOC1C=CC2=NC(Cl)=NC(=O)C2=C1
InChIInChI=1S/C9H7ClN2O2/c1-14-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-5H,1H3
InChIKeyZXZPZTFMQDBALX-UHFFFAOYSA-N
XLogP1.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-6H-quinazolin-4-one
CID 72741421
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
(4-oxo-6H-quinazolin-6-yl) acetate
CID 73473654
2-(chloromethyl)-6,7-dimethoxy-6H-quinazolin-4-one
CID 74873436
2-chloro-6,7-dimethoxy-5-methyl-6H-quinazolin-4-one
CID 75990498
2-amino-6,7-dimethoxy-6H-quinazolin-4-one
CID 76845143
2-chloro-6,7-dimethoxy-6H-quinazolin-4-one
CID 76845186
6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
CID 78170554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-6H-quinazolin-4-one?
The IUPAC name of 2-chloro-6-methoxy-6H-quinazolin-4-one (CID 73300459) is 2-chloro-6-methoxy-6H-quinazolin-4-one.
What is the SMILES notation for 2-chloro-6-methoxy-6H-quinazolin-4-one?
The canonical SMILES for 2-chloro-6-methoxy-6H-quinazolin-4-one is COC1C=CC2=NC(Cl)=NC(=O)C2=C1.
What is the InChIKey of 2-chloro-6-methoxy-6H-quinazolin-4-one?
The InChIKey is ZXZPZTFMQDBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-5H,1H3.
What are the key properties of 2-chloro-6-methoxy-6H-quinazolin-4-one?
2-chloro-6-methoxy-6H-quinazolin-4-one has a molecular weight of 210.62 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-6H-quinazolin-4-one is sourced from PubChem (CID 73300459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).