N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide

C40H37N3O3 — CID 59684313

IUPACN-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-n2c(C(C)CN(CCc3ccccc3)C(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C40H37N3O3/c1-29(38-41-36-21-13-12-20-35(36)39(44)43(38)33-22-24-34(46-2)25-23-33)28-42(27-26-30-14-6-3-7-15-30)40(45)37(31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-25,29,37H,26-28H2,1-2H3
InChIKeyBCMXKNDNEXJVOJ-UHFFFAOYSA-N
MW607.75 g/mol
LogP7.40
Rot. Bonds11

About N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide

N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide (PubChem CID 59684313) has the molecular formula C40H37N3O3 and a molecular weight of 607.75 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide
PubChem CID59684313
Molecular FormulaC40H37N3O3
Molecular Weight607.75 g/mol
Exact Mass607.28
IUPAC NameN-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-n2c(C(C)CN(CCc3ccccc3)C(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C40H37N3O3/c1-29(38-41-36-21-13-12-20-35(36)39(44)43(38)33-22-24-34(46-2)25-23-33)28-42(27-26-30-14-6-3-7-15-30)40(45)37(31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-25,29,37H,26-28H2,1-2H3
InChIKeyBCMXKNDNEXJVOJ-UHFFFAOYSA-N
XLogP7.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.75
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240
N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylbutanamide
CID 42719284
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2,2-dimethyl-N-(3-methylbutyl)propanamide
CID 42716918
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 42727829
3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 3412674
4-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 4312468
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854
2-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42716924
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2,2-dimethylpropanamide
CID 42717165
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42721528

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide (CID 59684313) is N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide is COc1ccc(-n2c(C(C)CN(CCc3ccccc3)C(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide?
The InChIKey is BCMXKNDNEXJVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3O3/c1-29(38-41-36-21-13-12-20-35(36)39(44)43(38)33-22-24-34(46-2)25-23-33)28-42(27-26-30-14-6-3-7-15-30)40(45)37(31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-25,29,37H,26-28H2,1-2H3.
What are the key properties of N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide?
N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide has a molecular weight of 607.75 g/mol, XLogP of 7.40, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 59684313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).