2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one

C24H32N2O2 — CID 54777925

IUPAC2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
SMILESCCCCCOc1ccc(C2(CC)Nc3ccccc3C(=O)N2C(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-5-7-10-17-28-20-15-13-19(14-16-20)24(6-2)25-22-12-9-8-11-21(22)23(27)26(24)18(3)4/h8-9,11-16,18,25H,5-7,10,17H2,1-4H3
InChIKeyLUOXVGCNWBONQY-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.79
Rot. Bonds8

About 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one

2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one (PubChem CID 54777925) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
PubChem CID54777925
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
SMILESCCCCCOc1ccc(C2(CC)Nc3ccccc3C(=O)N2C(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-5-7-10-17-28-20-15-13-19(14-16-20)24(6-2)25-22-12-9-8-11-21(22)23(27)26(24)18(3)4/h8-9,11-16,18,25H,5-7,10,17H2,1-4H3
InChIKeyLUOXVGCNWBONQY-UHFFFAOYSA-N
XLogP5.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.79
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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Related Compounds

3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182
3-butan-2-yl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54779142
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
3-butyl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54778577
2-(3-butoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777854
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777554
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780419
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
2-(4-hexoxyphenyl)-2-methyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779617

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one?
The IUPAC name of 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one (CID 54777925) is 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one is CCCCCOc1ccc(C2(CC)Nc3ccccc3C(=O)N2C(C)C)cc1.
What is the InChIKey of 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one?
The InChIKey is LUOXVGCNWBONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-5-7-10-17-28-20-15-13-19(14-16-20)24(6-2)25-22-12-9-8-11-21(22)23(27)26(24)18(3)4/h8-9,11-16,18,25H,5-7,10,17H2,1-4H3.
What are the key properties of 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one?
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one has a molecular weight of 380.53 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one is sourced from PubChem (CID 54777925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).