7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one

C17H16ClN3O — CID 2945963

IUPAC7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2Cl)Cc2nc(NC3CC3)ncc21
InChIInChI=1S/C17H16ClN3O/c18-14-4-2-1-3-12(14)10-7-15-13(16(22)8-10)9-19-17(21-15)20-11-5-6-11/h1-4,9-11H,5-8H2,(H,19,20,21)
InChIKeyDTVVHUYBDWXUTI-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.62
Rot. Bonds3

About 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one

7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2945963) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2945963
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2Cl)Cc2nc(NC3CC3)ncc21
InChIInChI=1S/C17H16ClN3O/c18-14-4-2-1-3-12(14)10-7-15-13(16(22)8-10)9-19-17(21-15)20-11-5-6-11/h1-4,9-11H,5-8H2,(H,19,20,21)
InChIKeyDTVVHUYBDWXUTI-UHFFFAOYSA-N
XLogP3.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 2945963) is 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccccc2Cl)Cc2nc(NC3CC3)ncc21.
What is the InChIKey of 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is DTVVHUYBDWXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-4-2-1-3-12(14)10-7-15-13(16(22)8-10)9-19-17(21-15)20-11-5-6-11/h1-4,9-11H,5-8H2,(H,19,20,21).
What are the key properties of 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one?
7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 313.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2945963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).