ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate

C28H35N3O4 — CID 42722732

IUPACethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
SMILESCCCN(C(=O)CCC(=O)OCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C28H35N3O4/c1-5-19-30(25(32)17-18-26(33)35-8-4)24(7-3)27-29-23-12-10-9-11-22(23)28(34)31(27)21-15-13-20(6-2)14-16-21/h9-16,24H,5-8,17-19H2,1-4H3
InChIKeyQJEUOSFHSDJQQB-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.98
Rot. Bonds11

About ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate

ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate (PubChem CID 42722732) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
PubChem CID42722732
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Nameethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
SMILESCCCN(C(=O)CCC(=O)OCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C28H35N3O4/c1-5-19-30(25(32)17-18-26(33)35-8-4)24(7-3)27-29-23-12-10-9-11-22(23)28(34)31(27)21-15-13-20(6-2)14-16-21/h9-16,24H,5-8,17-19H2,1-4H3
InChIKeyQJEUOSFHSDJQQB-UHFFFAOYSA-N
XLogP4.98
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42721828
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42722703
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4007499
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42715489
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42722923
ethyl 4-[benzyl-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 5161627
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate (CID 42722732) is ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate is CCCN(C(=O)CCC(=O)OCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate?
The InChIKey is QJEUOSFHSDJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-5-19-30(25(32)17-18-26(33)35-8-4)24(7-3)27-29-23-12-10-9-11-22(23)28(34)31(27)21-15-13-20(6-2)14-16-21/h9-16,24H,5-8,17-19H2,1-4H3.
What are the key properties of ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate?
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate has a molecular weight of 477.61 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate is sourced from PubChem (CID 42722732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).