N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide

C35H35N3O3 — CID 42719240

IUPACN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
SMILESCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C35H35N3O3/c1-4-24-37(35(40)32(25-14-8-6-9-15-25)26-16-10-7-11-17-26)31(5-2)33-36-30-19-13-12-18-29(30)34(39)38(33)27-20-22-28(41-3)23-21-27/h6-23,31-32H,4-5,24H2,1-3H3
InChIKeyVIWNXKOGYQVQFM-UHFFFAOYSA-N
MW545.68 g/mol
LogP6.92
Rot. Bonds10

About N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide

N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide (PubChem CID 42719240) has the molecular formula C35H35N3O3 and a molecular weight of 545.68 g/mol. Its IUPAC name is N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
PubChem CID42719240
Molecular FormulaC35H35N3O3
Molecular Weight545.68 g/mol
Exact Mass545.27
IUPAC NameN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
SMILESCCCN(C(=O)C(c1ccccc1)c1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C35H35N3O3/c1-4-24-37(35(40)32(25-14-8-6-9-15-25)26-16-10-7-11-17-26)31(5-2)33-36-30-19-13-12-18-29(30)34(39)38(33)27-20-22-28(41-3)23-21-27/h6-23,31-32H,4-5,24H2,1-3H3
InChIKeyVIWNXKOGYQVQFM-UHFFFAOYSA-N
XLogP6.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.68
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylbutanamide
CID 42719284
3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42718726
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
CID 4545425
3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one
CID 89056372
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclopropanecarboxamide
CID 42719268
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 3986184
3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
CID 4690566
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-butyl-2-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 3580721
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
CID 4695441

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide?
The IUPAC name of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide (CID 42719240) is N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide.
What is the SMILES notation for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide?
The canonical SMILES for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide is CCCN(C(=O)C(c1ccccc1)c1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide?
The InChIKey is VIWNXKOGYQVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O3/c1-4-24-37(35(40)32(25-14-8-6-9-15-25)26-16-10-7-11-17-26)31(5-2)33-36-30-19-13-12-18-29(30)34(39)38(33)27-20-22-28(41-3)23-21-27/h6-23,31-32H,4-5,24H2,1-3H3.
What are the key properties of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide?
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide has a molecular weight of 545.68 g/mol, XLogP of 6.92, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide is sourced from PubChem (CID 42719240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).