2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one

C23H28N2O2 — CID 54780551

IUPAC2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one
SMILESC=C(C)COc1ccc(C2(CC)Nc3ccccc3C(=O)N2CCC)cc1
InChIInChI=1S/C23H28N2O2/c1-5-15-25-22(26)20-9-7-8-10-21(20)24-23(25,6-2)18-11-13-19(14-12-18)27-16-17(3)4/h7-14,24H,3,5-6,15-16H2,1-2,4H3
InChIKeyJRYMGVBXHFYVTD-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.18
Rot. Bonds7

About 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one

2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one (PubChem CID 54780551) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one
PubChem CID54780551
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one
SMILESC=C(C)COc1ccc(C2(CC)Nc3ccccc3C(=O)N2CCC)cc1
InChIInChI=1S/C23H28N2O2/c1-5-15-25-22(26)20-9-7-8-10-21(20)24-23(25,6-2)18-11-13-19(14-12-18)27-16-17(3)4/h7-14,24H,3,5-6,15-16H2,1-2,4H3
InChIKeyJRYMGVBXHFYVTD-UHFFFAOYSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780558
2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one
CID 54780497
3-butyl-2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780126
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
3-butyl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54778577
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780419
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
CID 54777925
2-(4-butan-2-yloxyphenyl)-2-ethyl-3-(3-methoxypropyl)-1H-quinazolin-4-one
CID 54778267
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-ethyl-2-methyl-2-(4-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780173

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
The IUPAC name of 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one (CID 54780551) is 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one is C=C(C)COc1ccc(C2(CC)Nc3ccccc3C(=O)N2CCC)cc1.
What is the InChIKey of 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
The InChIKey is JRYMGVBXHFYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-5-15-25-22(26)20-9-7-8-10-21(20)24-23(25,6-2)18-11-13-19(14-12-18)27-16-17(3)4/h7-14,24H,3,5-6,15-16H2,1-2,4H3.
What are the key properties of 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one has a molecular weight of 364.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one is sourced from PubChem (CID 54780551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).