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

C17H17N3O — CID 4027658

IUPAC2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2)Cc2nc(NC3CC3)ncc21
InChIInChI=1S/C17H17N3O/c21-16-9-12(11-4-2-1-3-5-11)8-15-14(16)10-18-17(20-15)19-13-6-7-13/h1-5,10,12-13H,6-9H2,(H,18,19,20)
InChIKeyXWMPRLCWYGIFJR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.96
Rot. Bonds3

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

2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4027658) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4027658
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2)Cc2nc(NC3CC3)ncc21
InChIInChI=1S/C17H17N3O/c21-16-9-12(11-4-2-1-3-5-11)8-15-14(16)10-18-17(20-15)19-13-6-7-13/h1-5,10,12-13H,6-9H2,(H,18,19,20)
InChIKeyXWMPRLCWYGIFJR-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 4027658) is 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccccc2)Cc2nc(NC3CC3)ncc21.
What is the InChIKey of 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XWMPRLCWYGIFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-16-9-12(11-4-2-1-3-5-11)8-15-14(16)10-18-17(20-15)19-13-6-7-13/h1-5,10,12-13H,6-9H2,(H,18,19,20).
What are the key properties of 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 279.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4027658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).