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

C22H27N3O — CID 45140971

IUPAC6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C22H27N3O/c1-6-23-18-11-12-20-19(13-18)21(24-22(26)25(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15,23H,6H2,1-5H3
InChIKeyOSJFKSZZQVBJRR-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.20
Rot. Bonds5

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

6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 45140971) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID45140971
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C22H27N3O/c1-6-23-18-11-12-20-19(13-18)21(24-22(26)25(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15,23H,6H2,1-5H3
InChIKeyOSJFKSZZQVBJRR-UHFFFAOYSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 45140971) is 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is OSJFKSZZQVBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-6-23-18-11-12-20-19(13-18)21(24-22(26)25(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15,23H,6H2,1-5H3.
What are the key properties of 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 349.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 45140971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).