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

C26H35N3O — CID 45140974

IUPAC6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCCN(CCC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C26H35N3O/c1-7-15-28(16-8-2)22-13-14-24-23(17-22)25(27-26(30)29(24)19(5)6)21-11-9-20(10-12-21)18(3)4/h9-14,17-19H,7-8,15-16H2,1-6H3
InChIKeyAFBLVZYFLXGQGO-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.39
Rot. Bonds8

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

6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 45140974) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID45140974
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCCN(CCC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C26H35N3O/c1-7-15-28(16-8-2)22-13-14-24-23(17-22)25(27-26(30)29(24)19(5)6)21-11-9-20(10-12-21)18(3)4/h9-14,17-19H,7-8,15-16H2,1-6H3
InChIKeyAFBLVZYFLXGQGO-UHFFFAOYSA-N
XLogP6.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 45140974) is 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is CCCN(CCC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is AFBLVZYFLXGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-7-15-28(16-8-2)22-13-14-24-23(17-22)25(27-26(30)29(24)19(5)6)21-11-9-20(10-12-21)18(3)4/h9-14,17-19H,7-8,15-16H2,1-6H3.
What are the key properties of 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 405.59 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 45140974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).