N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide

C31H35N3O4 — CID 42719271

IUPACN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCC(C)C)C(=O)COc1ccccc1
InChIInChI=1S/C31H35N3O4/c1-5-28(33(20-19-22(2)3)29(35)21-38-25-11-7-6-8-12-25)30-32-27-14-10-9-13-26(27)31(36)34(30)23-15-17-24(37-4)18-16-23/h6-18,22,28H,5,19-21H2,1-4H3
InChIKeyKNLGIDRJBUSEGV-UHFFFAOYSA-N
MW513.64 g/mol
LogP5.80
Rot. Bonds11

About N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide

N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide (PubChem CID 42719271) has the molecular formula C31H35N3O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
PubChem CID42719271
Molecular FormulaC31H35N3O4
Molecular Weight513.64 g/mol
Exact Mass513.26
IUPAC NameN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCC(C)C)C(=O)COc1ccccc1
InChIInChI=1S/C31H35N3O4/c1-5-28(33(20-19-22(2)3)29(35)21-38-25-11-7-6-8-12-25)30-32-27-14-10-9-13-26(27)31(36)34(30)23-15-17-24(37-4)18-16-23/h6-18,22,28H,5,19-21H2,1-4H3
InChIKeyKNLGIDRJBUSEGV-UHFFFAOYSA-N
XLogP5.80
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(4-methylphenyl)urea
CID 5222429
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 42719304
3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
CID 4690566
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
CID 4688416
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]-2,2-diphenyl-N-propylacetamide
CID 42719240
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)nonanamide
CID 42718901

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide?
The IUPAC name of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide (CID 42719271) is N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide?
The canonical SMILES for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCC(C)C)C(=O)COc1ccccc1.
What is the InChIKey of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide?
The InChIKey is KNLGIDRJBUSEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-5-28(33(20-19-22(2)3)29(35)21-38-25-11-7-6-8-12-25)30-32-27-14-10-9-13-26(27)31(36)34(30)23-15-17-24(37-4)18-16-23/h6-18,22,28H,5,19-21H2,1-4H3.
What are the key properties of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide?
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide has a molecular weight of 513.64 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide is sourced from PubChem (CID 42719271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).