N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide

C34H32ClN3O3 — CID 4240011

IUPACN-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
SMILESCCc1ccc(-n2c(C(CC)N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C34H32ClN3O3/c1-3-24-14-18-27(19-15-24)38-33(36-30-13-9-8-12-29(30)34(38)40)31(4-2)37(22-25-10-6-5-7-11-25)32(39)23-41-28-20-16-26(35)17-21-28/h5-21,31H,3-4,22-23H2,1-2H3
InChIKeyJROPZQXRSPENJM-UHFFFAOYSA-N
MW566.10 g/mol
LogP7.16
Rot. Bonds10

About N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide

N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide (PubChem CID 4240011) has the molecular formula C34H32ClN3O3 and a molecular weight of 566.10 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
PubChem CID4240011
Molecular FormulaC34H32ClN3O3
Molecular Weight566.10 g/mol
Exact Mass565.21
IUPAC NameN-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
SMILESCCc1ccc(-n2c(C(CC)N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C34H32ClN3O3/c1-3-24-14-18-27(19-15-24)38-33(36-30-13-9-8-12-29(30)34(38)40)31(4-2)37(22-25-10-6-5-7-11-25)32(39)23-41-28-20-16-26(35)17-21-28/h5-21,31H,3-4,22-23H2,1-2H3
InChIKeyJROPZQXRSPENJM-UHFFFAOYSA-N
XLogP7.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.10
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 3987669
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
1-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42715818
4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide
CID 5144965
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42721670
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
1-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(3-methoxyphenyl)urea
CID 4292539
2,4-dichloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4561997
N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 3247947
N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylbutanamide
CID 42719284

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide (CID 4240011) is N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide is CCc1ccc(-n2c(C(CC)N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide?
The InChIKey is JROPZQXRSPENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN3O3/c1-3-24-14-18-27(19-15-24)38-33(36-30-13-9-8-12-29(30)34(38)40)31(4-2)37(22-25-10-6-5-7-11-25)32(39)23-41-28-20-16-26(35)17-21-28/h5-21,31H,3-4,22-23H2,1-2H3.
What are the key properties of N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide?
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide has a molecular weight of 566.10 g/mol, XLogP of 7.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide is sourced from PubChem (CID 4240011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).