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

C30H32ClN3O3 — CID 3987669

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N(CC(C)C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C30H32ClN3O3/c1-4-27(33(18-21(2)3)28(35)20-37-24-16-14-23(31)15-17-24)29-32-26-13-9-8-12-25(26)30(36)34(29)19-22-10-6-5-7-11-22/h5-17,21,27H,4,18-20H2,1-3H3
InChIKeyUUZVVGLOHWQQBU-UHFFFAOYSA-N
MW518.06 g/mol
LogP6.11
Rot. Bonds10

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

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 3987669) has the molecular formula C30H32ClN3O3 and a molecular weight of 518.06 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID3987669
Molecular FormulaC30H32ClN3O3
Molecular Weight518.06 g/mol
Exact Mass517.21
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N(CC(C)C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C30H32ClN3O3/c1-4-27(33(18-21(2)3)28(35)20-37-24-16-14-23(31)15-17-24)29-32-26-13-9-8-12-25(26)30(36)34(29)19-22-10-6-5-7-11-22/h5-17,21,27H,4,18-20H2,1-3H3
InChIKeyUUZVVGLOHWQQBU-UHFFFAOYSA-N
XLogP6.11
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.06
LogP ≤ 56.11
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
2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
CID 42713246
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 42711344
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxyacetamide
CID 42712126
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
CID 42712071
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42715682

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide (CID 3987669) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide is CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N(CC(C)C)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is UUZVVGLOHWQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O3/c1-4-27(33(18-21(2)3)28(35)20-37-24-16-14-23(31)15-17-24)29-32-26-13-9-8-12-25(26)30(36)34(29)19-22-10-6-5-7-11-22/h5-17,21,27H,4,18-20H2,1-3H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 518.06 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).