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

C22H26N2O2 — CID 45140004

IUPAC6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C22H26N2O2/c1-6-26-18-11-12-20-19(13-18)21(23-22(25)24(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15H,6H2,1-5H3
InChIKeyNRPKPAYBJWZZMX-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.17
Rot. Bonds5

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

6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 45140004) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID45140004
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C22H26N2O2/c1-6-26-18-11-12-20-19(13-18)21(23-22(25)24(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15H,6H2,1-5H3
InChIKeyNRPKPAYBJWZZMX-UHFFFAOYSA-N
XLogP5.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 45140004) is 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is NRPKPAYBJWZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-6-26-18-11-12-20-19(13-18)21(23-22(25)24(20)15(4)5)17-9-7-16(8-10-17)14(2)3/h7-15H,6H2,1-5H3.
What are the key properties of 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 350.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 45140004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).