2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C20H23N3O — CID 2946679

IUPAC2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(C2CC(=O)c3cnc(NC4CCCC4)nc3C2)cc1
InChIInChI=1S/C20H23N3O/c1-13-6-8-14(9-7-13)15-10-18-17(19(24)11-15)12-21-20(23-18)22-16-4-2-3-5-16/h6-9,12,15-16H,2-5,10-11H2,1H3,(H,21,22,23)
InChIKeyCJYHAKUMNBQDAQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.05
Rot. Bonds3

About 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2946679) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2946679
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(C2CC(=O)c3cnc(NC4CCCC4)nc3C2)cc1
InChIInChI=1S/C20H23N3O/c1-13-6-8-14(9-7-13)15-10-18-17(19(24)11-15)12-21-20(23-18)22-16-4-2-3-5-16/h6-9,12,15-16H,2-5,10-11H2,1H3,(H,21,22,23)
InChIKeyCJYHAKUMNBQDAQ-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 2946679) is 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(C2CC(=O)c3cnc(NC4CCCC4)nc3C2)cc1.
What is the InChIKey of 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CJYHAKUMNBQDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-6-8-14(9-7-13)15-10-18-17(19(24)11-15)12-21-20(23-18)22-16-4-2-3-5-16/h6-9,12,15-16H,2-5,10-11H2,1H3,(H,21,22,23).
What are the key properties of 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 321.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2946679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).