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

C19H22N2O2 — CID 54778277

IUPAC2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCCCCOc1cccc(C2Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C19H22N2O2/c1-3-4-12-23-15-9-7-8-14(13-15)18-20-17-11-6-5-10-16(17)19(22)21(18)2/h5-11,13,18,20H,3-4,12H2,1-2H3
InChIKeyCYXWPMQKYKAOCX-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.06
Rot. Bonds5

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

2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778277) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
PubChem CID54778277
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCCCCOc1cccc(C2Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C19H22N2O2/c1-3-4-12-23-15-9-7-8-14(13-15)18-20-17-11-6-5-10-16(17)19(22)21(18)2/h5-11,13,18,20H,3-4,12H2,1-2H3
InChIKeyCYXWPMQKYKAOCX-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
3-butan-2-yl-2-(3-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779071
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
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
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one (CID 54778277) is 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one is CCCCOc1cccc(C2Nc3ccccc3C(=O)N2C)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is CYXWPMQKYKAOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-4-12-23-15-9-7-8-14(13-15)18-20-17-11-6-5-10-16(17)19(22)21(18)2/h5-11,13,18,20H,3-4,12H2,1-2H3.
What are the key properties of 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 310.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).