7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one

C15H12ClN3O — CID 166634618

IUPAC7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one
SMILESCN(c1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClN3O/c1-19(11-5-3-2-4-6-11)14-12-8-7-10(16)9-13(12)17-15(20)18-14/h2-9H,1H3,(H,17,18,20)
InChIKeyDBZUKRGYKGSEPM-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.34
Rot. Bonds2

About 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one

7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one (PubChem CID 166634618) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one
PubChem CID166634618
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one
SMILESCN(c1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClN3O/c1-19(11-5-3-2-4-6-11)14-12-8-7-10(16)9-13(12)17-15(20)18-14/h2-9H,1H3,(H,17,18,20)
InChIKeyDBZUKRGYKGSEPM-UHFFFAOYSA-N
XLogP3.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one?
The IUPAC name of 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one (CID 166634618) is 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one is CN(c1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one?
The InChIKey is DBZUKRGYKGSEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-19(11-5-3-2-4-6-11)14-12-8-7-10(16)9-13(12)17-15(20)18-14/h2-9H,1H3,(H,17,18,20).
What are the key properties of 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one?
7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one has a molecular weight of 285.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(N-methylanilino)-1H-quinazolin-2-one is sourced from PubChem (CID 166634618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).