N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide

C31H35N3O2 — CID 3951854

IUPACN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
SMILESCCc1ccc(-n2c(C(CC)N(CCc3ccccc3)C(=O)C(C)C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H35N3O2/c1-5-23-16-18-25(19-17-23)34-29(32-27-15-11-10-14-26(27)31(34)36)28(6-2)33(30(35)22(3)4)21-20-24-12-8-7-9-13-24/h7-19,22,28H,5-6,20-21H2,1-4H3
InChIKeyNCLZYGGPHRCQHS-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.13
Rot. Bonds9

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide (PubChem CID 3951854) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
PubChem CID3951854
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
SMILESCCc1ccc(-n2c(C(CC)N(CCc3ccccc3)C(=O)C(C)C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H35N3O2/c1-5-23-16-18-25(19-17-23)34-29(32-27-15-11-10-14-26(27)31(34)36)28(6-2)33(30(35)22(3)4)21-20-24-12-8-7-9-13-24/h7-19,22,28H,5-6,20-21H2,1-4H3
InChIKeyNCLZYGGPHRCQHS-UHFFFAOYSA-N
XLogP6.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42722923
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 42717250
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42722703
2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 42722682
(E)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 42723540
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4004381
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
CID 3897517
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 42722880
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
CID 42722732

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide (CID 3951854) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide is CCc1ccc(-n2c(C(CC)N(CCc3ccccc3)C(=O)C(C)C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide?
The InChIKey is NCLZYGGPHRCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-5-23-16-18-25(19-17-23)34-29(32-27-15-11-10-14-26(27)31(34)36)28(6-2)33(30(35)22(3)4)21-20-24-12-8-7-9-13-24/h7-19,22,28H,5-6,20-21H2,1-4H3.
What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide?
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 481.64 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3951854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).