2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one

C20H24N2O2 — CID 54778071

IUPAC2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
SMILESCCCCOc1cccc(C2Nc3ccccc3C(=O)N2CC)c1
InChIInChI=1S/C20H24N2O2/c1-3-5-13-24-16-10-8-9-15(14-16)19-21-18-12-7-6-11-17(18)20(23)22(19)4-2/h6-12,14,19,21H,3-5,13H2,1-2H3
InChIKeyROKIJKOSDNPHAK-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds6

About 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one

2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778071) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
PubChem CID54778071
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
SMILESCCCCOc1cccc(C2Nc3ccccc3C(=O)N2CC)c1
InChIInChI=1S/C20H24N2O2/c1-3-5-13-24-16-10-8-9-15(14-16)19-21-18-12-7-6-11-17(18)20(23)22(19)4-2/h6-12,14,19,21H,3-5,13H2,1-2H3
InChIKeyROKIJKOSDNPHAK-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.45
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-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778277
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
3-butan-2-yl-2-(3-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779071
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one (CID 54778071) is 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one is CCCCOc1cccc(C2Nc3ccccc3C(=O)N2CC)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one?
The InChIKey is ROKIJKOSDNPHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-5-13-24-16-10-8-9-15(14-16)19-21-18-12-7-6-11-17(18)20(23)22(19)4-2/h6-12,14,19,21H,3-5,13H2,1-2H3.
What are the key properties of 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one?
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).