N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide

C31H35N3O3 — CID 42722703

IUPACN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCCc1ccc(-n2c(C(CC)N(CCOC)C(=O)CCc3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H35N3O3/c1-4-23-15-18-25(19-16-23)34-30(32-27-14-10-9-13-26(27)31(34)36)28(5-2)33(21-22-37-3)29(35)20-17-24-11-7-6-8-12-24/h6-16,18-19,28H,4-5,17,20-22H2,1-3H3
InChIKeyZYPURKXWQISGCT-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.51
Rot. Bonds11

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 42722703) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID42722703
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCCc1ccc(-n2c(C(CC)N(CCOC)C(=O)CCc3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H35N3O3/c1-4-23-15-18-25(19-16-23)34-30(32-27-14-10-9-13-26(27)31(34)36)28(5-2)33(21-22-37-3)29(35)20-17-24-11-7-6-8-12-24/h6-16,18-19,28H,4-5,17,20-22H2,1-3H3
InChIKeyZYPURKXWQISGCT-UHFFFAOYSA-N
XLogP5.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 42727829
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
CID 42722732
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
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
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42728662

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide (CID 42722703) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide is CCc1ccc(-n2c(C(CC)N(CCOC)C(=O)CCc3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is ZYPURKXWQISGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-4-23-15-18-25(19-16-23)34-30(32-27-14-10-9-13-26(27)31(34)36)28(5-2)33(21-22-37-3)29(35)20-17-24-11-7-6-8-12-24/h6-16,18-19,28H,4-5,17,20-22H2,1-3H3.
What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide?
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 497.64 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 42722703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).