8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride

C9H8Cl2N2O2 — CID 174823492

IUPAC8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
SMILESCOc1ccc2c(=O)[nH]cnc2c1Cl.Cl
InChIInChI=1S/C9H7ClN2O2.ClH/c1-14-6-3-2-5-8(7(6)10)11-4-12-9(5)13;/h2-4H,1H3,(H,11,12,13);1H
InChIKeyFVZQQLHJLMBOPF-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.01
Rot. Bonds1

About 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride

8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride (PubChem CID 174823492) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
PubChem CID174823492
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC Name8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
SMILESCOc1ccc2c(=O)[nH]cnc2c1Cl.Cl
InChIInChI=1S/C9H7ClN2O2.ClH/c1-14-6-3-2-5-8(7(6)10)11-4-12-9(5)13;/h2-4H,1H3,(H,11,12,13);1H
InChIKeyFVZQQLHJLMBOPF-UHFFFAOYSA-N
XLogP2.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
4,8-dichloro-7-methoxy-3-methylquinoline
CID 171373308
6-fluoro-8-methoxy-3H-quinazolin-4-one
CID 136677465
5-chloro-4-(4-methoxy-3-methylanilino)-1H-pyrimidin-6-one
CID 136971055
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
5-chloro-6-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one
CID 136608366
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
4,5-dimethoxy-1H-benzimidazole
CID 54423692
4,8-dichloro-7-methoxyquinoline-3-carbonitrile
CID 12559432
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585927
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride (CID 174823492) is 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride is COc1ccc2c(=O)[nH]cnc2c1Cl.Cl.
What is the InChIKey of 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride?
The InChIKey is FVZQQLHJLMBOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2.ClH/c1-14-6-3-2-5-8(7(6)10)11-4-12-9(5)13;/h2-4H,1H3,(H,11,12,13);1H.
What are the key properties of 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride?
8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride has a molecular weight of 247.08 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 174823492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).