N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide

C29H30ClN3O3 — CID 42717939

IUPACN-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCOc1ccc(-n2c(C(C)N(CC(C)C)C(=O)Cc3ccccc3)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C29H30ClN3O3/c1-19(2)18-32(27(34)16-21-8-6-5-7-9-21)20(3)28-31-26-17-22(30)10-15-25(26)29(35)33(28)23-11-13-24(36-4)14-12-23/h5-15,17,19-20H,16,18H2,1-4H3
InChIKeyWIMHVGBRMBOPPM-UHFFFAOYSA-N
MW504.03 g/mol
LogP5.84
Rot. Bonds8

About N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide

N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 42717939) has the molecular formula C29H30ClN3O3 and a molecular weight of 504.03 g/mol. Its IUPAC name is N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID42717939
Molecular FormulaC29H30ClN3O3
Molecular Weight504.03 g/mol
Exact Mass503.20
IUPAC NameN-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCOc1ccc(-n2c(C(C)N(CC(C)C)C(=O)Cc3ccccc3)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C29H30ClN3O3/c1-19(2)18-32(27(34)16-21-8-6-5-7-9-21)20(3)28-31-26-17-22(30)10-15-25(26)29(35)33(28)23-11-13-24(36-4)14-12-23/h5-15,17,19-20H,16,18H2,1-4H3
InChIKeyWIMHVGBRMBOPPM-UHFFFAOYSA-N
XLogP5.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.03
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylpropanamide
CID 4237353
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765
2-chloro-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylacetamide
CID 42717916
4-chloro-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)butanamide
CID 42718493
N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)dodecanamide
CID 42657545
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500
N-butyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-thiophen-2-ylacetamide
CID 3413058
N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 3986213
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenoxyacetamide
CID 42657601
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-2-phenylmethoxyacetamide
CID 42712325
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide (CID 42717939) is N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide is COc1ccc(-n2c(C(C)N(CC(C)C)C(=O)Cc3ccccc3)nc3cc(Cl)ccc3c2=O)cc1.
What is the InChIKey of N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is WIMHVGBRMBOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O3/c1-19(2)18-32(27(34)16-21-8-6-5-7-9-21)20(3)28-31-26-17-22(30)10-15-25(26)29(35)33(28)23-11-13-24(36-4)14-12-23/h5-15,17,19-20H,16,18H2,1-4H3.
What are the key properties of N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide?
N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 504.03 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 42717939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).