2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

C21H24N2O3 — CID 54779538

IUPAC2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2NC1c1cccc(OCCOCC)c1
InChIInChI=1S/C21H24N2O3/c1-3-12-23-20(22-19-11-6-5-10-18(19)21(23)24)16-8-7-9-17(15-16)26-14-13-25-4-2/h3,5-11,15,20,22H,1,4,12-14H2,2H3
InChIKeyYKOLUWLRMPJYNK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.85
Rot. Bonds8

About 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (PubChem CID 54779538) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
PubChem CID54779538
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2NC1c1cccc(OCCOCC)c1
InChIInChI=1S/C21H24N2O3/c1-3-12-23-20(22-19-11-6-5-10-18(19)21(23)24)16-8-7-9-17(15-16)26-14-13-25-4-2/h3,5-11,15,20,22H,1,4,12-14H2,2H3
InChIKeyYKOLUWLRMPJYNK-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778277
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 30098070
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
3-butan-2-yl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54778992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (CID 54779538) is 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is C=CCN1C(=O)c2ccccc2NC1c1cccc(OCCOCC)c1.
What is the InChIKey of 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The InChIKey is YKOLUWLRMPJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-12-23-20(22-19-11-6-5-10-18(19)21(23)24)16-8-7-9-17(15-16)26-14-13-25-4-2/h3,5-11,15,20,22H,1,4,12-14H2,2H3.
What are the key properties of 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one has a molecular weight of 352.43 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).