6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one

C16H13ClN2O3 — CID 127029117

IUPAC6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3ccc(Cl)cc3c2=O)c(OC)c1
InChIInChI=1S/C16H13ClN2O3/c1-21-11-4-6-14(15(8-11)22-2)19-9-18-13-5-3-10(17)7-12(13)16(19)20/h3-9H,1-2H3
InChIKeyRZUVHHWDDQCNLN-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.06
Rot. Bonds3

About 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one

6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one (PubChem CID 127029117) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
PubChem CID127029117
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3ccc(Cl)cc3c2=O)c(OC)c1
InChIInChI=1S/C16H13ClN2O3/c1-21-11-4-6-14(15(8-11)22-2)19-9-18-13-5-3-10(17)7-12(13)16(19)20/h3-9H,1-2H3
InChIKeyRZUVHHWDDQCNLN-UHFFFAOYSA-N
XLogP3.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one?
The IUPAC name of 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one (CID 127029117) is 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one is COc1ccc(-n2cnc3ccc(Cl)cc3c2=O)c(OC)c1.
What is the InChIKey of 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one?
The InChIKey is RZUVHHWDDQCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-11-4-6-14(15(8-11)22-2)19-9-18-13-5-3-10(17)7-12(13)16(19)20/h3-9H,1-2H3.
What are the key properties of 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one?
6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one has a molecular weight of 316.74 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 127029117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).