5-chloro-8-methyl-3H-quinazolin-4-one

C9H7ClN2O — CID 136922473

IUPAC5-chloro-8-methyl-3H-quinazolin-4-one
SMILESCc1ccc(Cl)c2c(=O)[nH]cnc12
InChIInChI=1S/C9H7ClN2O/c1-5-2-3-6(10)7-8(5)11-4-12-9(7)13/h2-4H,1H3,(H,11,12,13)
InChIKeyYDUBTQVBCOLFEX-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.88
Rot. Bonds

About 5-chloro-8-methyl-3H-quinazolin-4-one

5-chloro-8-methyl-3H-quinazolin-4-one (PubChem CID 136922473) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chloro-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-8-methyl-3H-quinazolin-4-one
PubChem CID136922473
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-chloro-8-methyl-3H-quinazolin-4-one
SMILESCc1ccc(Cl)c2c(=O)[nH]cnc12
InChIInChI=1S/C9H7ClN2O/c1-5-2-3-6(10)7-8(5)11-4-12-9(7)13/h2-4H,1H3,(H,11,12,13)
InChIKeyYDUBTQVBCOLFEX-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 5-chloro-8-methyl-3H-quinazolin-4-one (CID 136922473) is 5-chloro-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 5-chloro-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 5-chloro-8-methyl-3H-quinazolin-4-one is Cc1ccc(Cl)c2c(=O)[nH]cnc12.
What is the InChIKey of 5-chloro-8-methyl-3H-quinazolin-4-one?
The InChIKey is YDUBTQVBCOLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-2-3-6(10)7-8(5)11-4-12-9(7)13/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-chloro-8-methyl-3H-quinazolin-4-one?
5-chloro-8-methyl-3H-quinazolin-4-one has a molecular weight of 194.62 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136922473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).