3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one

C21H26N2O — CID 54778185

IUPAC3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
SMILESCCCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1CC
InChIInChI=1S/C21H26N2O/c1-3-5-11-16-21(17-12-7-6-8-13-17)22-19-15-10-9-14-18(19)20(24)23(21)4-2/h6-10,12-15,22H,3-5,11,16H2,1-2H3
InChIKeyLPFCCUDTIDYKPK-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.01
Rot. Bonds6

About 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one

3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one (PubChem CID 54778185) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
PubChem CID54778185
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
SMILESCCCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1CC
InChIInChI=1S/C21H26N2O/c1-3-5-11-16-21(17-12-7-6-8-13-17)22-19-15-10-9-14-18(19)20(24)23(21)4-2/h6-10,12-15,22H,3-5,11,16H2,1-2H3
InChIKeyLPFCCUDTIDYKPK-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
CID 54779372
3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one
CID 54779759
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
2-butyl-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777782
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
CID 54778170
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
CID 54777925
2,3-diethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780558
3-butyl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54778577

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one?
The IUPAC name of 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one (CID 54778185) is 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one is CCCCCC1(c2ccccc2)Nc2ccccc2C(=O)N1CC.
What is the InChIKey of 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one?
The InChIKey is LPFCCUDTIDYKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-5-11-16-21(17-12-7-6-8-13-17)22-19-15-10-9-14-18(19)20(24)23(21)4-2/h6-10,12-15,22H,3-5,11,16H2,1-2H3.
What are the key properties of 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one?
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one has a molecular weight of 322.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).