1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one

C23H27N3O — CID 11451283

IUPAC1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one
SMILESC=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C23H27N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h6-12,14-16,24H,1,13H2,2-5H3
InChIKeyCZFAOZKHHIQMRV-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.37
Rot. Bonds6

About 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one

1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one (PubChem CID 11451283) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one
PubChem CID11451283
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one
SMILESC=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C23H27N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h6-12,14-16,24H,1,13H2,2-5H3
InChIKeyCZFAOZKHHIQMRV-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one (CID 11451283) is 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one is C=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one?
The InChIKey is CZFAOZKHHIQMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h6-12,14-16,24H,1,13H2,2-5H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one?
1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one has a molecular weight of 361.49 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)quinazolin-2-one is sourced from PubChem (CID 11451283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).