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

C23H29N3O — CID 45140973

IUPAC1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one
SMILESCCCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C23H29N3O/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/h7-12,14-16,24H,6,13H2,1-5H3
InChIKeyUOEATLUIIQSISZ-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.59
Rot. Bonds6

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

1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one (PubChem CID 45140973) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one
PubChem CID45140973
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one
SMILESCCCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C23H29N3O/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/h7-12,14-16,24H,6,13H2,1-5H3
InChIKeyUOEATLUIIQSISZ-UHFFFAOYSA-N
XLogP5.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one (CID 45140973) is 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one is CCCNc1ccc2c(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-(propylamino)quinazolin-2-one?
The InChIKey is UOEATLUIIQSISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/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/h7-12,14-16,24H,6,13H2,1-5H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one?
1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(propylamino)quinazolin-2-one has a molecular weight of 363.51 g/mol, XLogP of 5.59, 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-(propylamino)quinazolin-2-one is sourced from PubChem (CID 45140973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).