2-chloro-6,7-dimethoxy-6H-quinazolin-4-one

C10H9ClN2O3 — CID 76845186

IUPAC2-chloro-6,7-dimethoxy-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(Cl)=NC(=O)C2=CC1OC
InChIInChI=1S/C10H9ClN2O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4,7H,1-2H3
InChIKeyMBEXLONKAQZHSI-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.05
Rot. Bonds2

About 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one

2-chloro-6,7-dimethoxy-6H-quinazolin-4-one (PubChem CID 76845186) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-6H-quinazolin-4-one
PubChem CID76845186
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-chloro-6,7-dimethoxy-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(Cl)=NC(=O)C2=CC1OC
InChIInChI=1S/C10H9ClN2O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4,7H,1-2H3
InChIKeyMBEXLONKAQZHSI-UHFFFAOYSA-N
XLogP1.05
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73338746
(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
6-ethoxy-6H-quinazolin-4-one
CID 72741421
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one
CID 73255498
2-chloro-6-methoxy-6H-quinazolin-4-one
CID 73300459
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
6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
CID 78170554
7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one
CID 156595191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one?
The IUPAC name of 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one (CID 76845186) is 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one?
The canonical SMILES for 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one is COC1=CC2=NC(Cl)=NC(=O)C2=CC1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one?
The InChIKey is MBEXLONKAQZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4,7H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one?
2-chloro-6,7-dimethoxy-6H-quinazolin-4-one has a molecular weight of 240.65 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-6H-quinazolin-4-one is sourced from PubChem (CID 76845186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).