N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide

C31H35N3O4 — CID 42727829

IUPACN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCCOC)C(=O)CCc1ccccc1
InChIInChI=1S/C31H35N3O4/c1-4-28(33(21-10-22-37-2)29(35)20-15-23-11-6-5-7-12-23)30-32-27-14-9-8-13-26(27)31(36)34(30)24-16-18-25(38-3)19-17-24/h5-9,11-14,16-19,28H,4,10,15,20-22H2,1-3H3
InChIKeyCPJYBORMOCEUEW-UHFFFAOYSA-N
MW513.64 g/mol
LogP5.34
Rot. Bonds12

About N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide

N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide (PubChem CID 42727829) 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-methoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
PubChem CID42727829
Molecular FormulaC31H35N3O4
Molecular Weight513.64 g/mol
Exact Mass513.26
IUPAC NameN-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCCOC)C(=O)CCc1ccccc1
InChIInChI=1S/C31H35N3O4/c1-4-28(33(21-10-22-37-2)29(35)20-15-23-11-6-5-7-12-23)30-32-27-14-9-8-13-26(27)31(36)34(30)24-16-18-25(38-3)19-17-24/h5-9,11-14,16-19,28H,4,10,15,20-22H2,1-3H3
InChIKeyCPJYBORMOCEUEW-UHFFFAOYSA-N
XLogP5.34
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42657488
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42722703
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628
3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 42727836
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 42728547
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42728662
4-tert-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 3962561
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 42719304
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide (CID 42727829) is N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCCOC)C(=O)CCc1ccccc1.
What is the InChIKey of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide?
The InChIKey is CPJYBORMOCEUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-4-28(33(21-10-22-37-2)29(35)20-15-23-11-6-5-7-12-23)30-32-27-14-9-8-13-26(27)31(36)34(30)24-16-18-25(38-3)19-17-24/h5-9,11-14,16-19,28H,4,10,15,20-22H2,1-3H3.
What are the key properties of N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide?
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide has a molecular weight of 513.64 g/mol, XLogP of 5.34, 12 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-methoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 42727829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).