3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one

C19H20N2O2 — CID 54779893

IUPAC3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESC=CCOc1cccc(C2Nc3ccccc3C(=O)N2CC)c1
InChIInChI=1S/C19H20N2O2/c1-3-12-23-15-9-7-8-14(13-15)18-20-17-11-6-5-10-16(17)19(22)21(18)4-2/h3,5-11,13,18,20H,1,4,12H2,2H3
InChIKeyIZRSZGGCWXODGB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.84
Rot. Bonds5

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

3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779893) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779893
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESC=CCOc1cccc(C2Nc3ccccc3C(=O)N2CC)c1
InChIInChI=1S/C19H20N2O2/c1-3-12-23-15-9-7-8-14(13-15)18-20-17-11-6-5-10-16(17)19(22)21(18)4-2/h3,5-11,13,18,20H,1,4,12H2,2H3
InChIKeyIZRSZGGCWXODGB-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.84
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-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778277
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
2-(3,4-dihydroxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 47030381
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
(2S)-2-(3-methoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 25351324

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54779893) is 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one is C=CCOc1cccc(C2Nc3ccccc3C(=O)N2CC)c1.
What is the InChIKey of 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is IZRSZGGCWXODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-12-23-15-9-7-8-14(13-15)18-20-17-11-6-5-10-16(17)19(22)21(18)4-2/h3,5-11,13,18,20H,1,4,12H2,2H3.
What are the key properties of 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).