N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide

C39H43N3O2 — CID 4023311

IUPACN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide
SMILESCCCCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
InChIInChI=1S/C39H43N3O2/c1-5-7-8-17-26-41(39(44)36(30-18-11-9-12-19-30)31-20-13-10-14-21-31)35(6-2)37-40-34-23-16-15-22-33(34)38(43)42(37)32-25-24-28(3)29(4)27-32/h9-16,18-25,27,35-36H,5-8,17,26H2,1-4H3
InChIKeyAZERBDQETFGZHD-UHFFFAOYSA-N
MW585.79 g/mol
LogP8.69
Rot. Bonds12

About N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide

N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide (PubChem CID 4023311) has the molecular formula C39H43N3O2 and a molecular weight of 585.79 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide
PubChem CID4023311
Molecular FormulaC39H43N3O2
Molecular Weight585.79 g/mol
Exact Mass585.34
IUPAC NameN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide
SMILESCCCCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
InChIInChI=1S/C39H43N3O2/c1-5-7-8-17-26-41(39(44)36(30-18-11-9-12-19-30)31-20-13-10-14-21-31)35(6-2)37-40-34-23-16-15-22-33(34)38(43)42(37)32-25-24-28(3)29(4)27-32/h9-16,18-25,27,35-36H,5-8,17,26H2,1-4H3
InChIKeyAZERBDQETFGZHD-UHFFFAOYSA-N
XLogP8.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.79
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide 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

4(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-
CID 63118
2-methyl-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748024
N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)decanamide
CID 4324393
2-{2-[4-(dimethylamino)phenyl]vinyl}-3-(2-methylphenyl)-4(3H)-quinazolinone
CID 5343298
N-(1-(3-(4-Cyanophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(2-(dimethylamino)ethyl)decanamide
CID 11386761
6-(4-fluorophenyl)-2-isopropyl-3-[(1-isopropylpiperidin-3-yl)-methyl]quinazolin-4(3H)-one
CID 23631288
N-[2-(tert-butylamino)ethyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 44535621
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]-N-[2-methyl-2-(propan-2-ylamino)propyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 44535626
(7Z)-7-Benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 15837614
2-Methyl-3-(4-phenylphenyl)quinazolin-4-one
CID 878892
Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione
CID 89649
11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide
CID 353192

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide?
The IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide (CID 4023311) is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide?
The canonical SMILES for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide is CCCCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide?
The InChIKey is AZERBDQETFGZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N3O2/c1-5-7-8-17-26-41(39(44)36(30-18-11-9-12-19-30)31-20-13-10-14-21-31)35(6-2)37-40-34-23-16-15-22-33(34)38(43)42(37)32-25-24-28(3)29(4)27-32/h9-16,18-25,27,35-36H,5-8,17,26H2,1-4H3.
What are the key properties of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide?
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide has a molecular weight of 585.79 g/mol, XLogP of 8.69, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2,2-diphenylacetamide is sourced from PubChem (CID 4023311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).