2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one

C24H32N2O2 — CID 54777791

IUPAC2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one
SMILESCCCCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCC
InChIInChI=1S/C24H32N2O2/c1-4-6-7-12-18-28-22-16-11-9-14-20(22)24(3)25-21-15-10-8-13-19(21)23(27)26(24)17-5-2/h8-11,13-16,25H,4-7,12,17-18H2,1-3H3
InChIKeyQANPPCXSJULZEF-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.80
Rot. Bonds9

About 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one

2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one (PubChem CID 54777791) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one
PubChem CID54777791
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one
SMILESCCCCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCC
InChIInChI=1S/C24H32N2O2/c1-4-6-7-12-18-28-22-16-11-9-14-20(22)24(3)25-21-15-10-8-13-19(21)23(27)26(24)17-5-2/h8-11,13-16,25H,4-7,12,17-18H2,1-3H3
InChIKeyQANPPCXSJULZEF-UHFFFAOYSA-N
XLogP5.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one?
The IUPAC name of 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one (CID 54777791) is 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one is CCCCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCC.
What is the InChIKey of 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one?
The InChIKey is QANPPCXSJULZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-6-7-12-18-28-22-16-11-9-14-20(22)24(3)25-21-15-10-8-13-19(21)23(27)26(24)17-5-2/h8-11,13-16,25H,4-7,12,17-18H2,1-3H3.
What are the key properties of 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one?
2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one has a molecular weight of 380.53 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one is sourced from PubChem (CID 54777791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).