ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate

C26H31N3O4 — CID 42719134

IUPACethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C26H31N3O4/c1-5-22(28(6-2)23(30)15-16-24(31)33-7-3)25-27-21-14-9-8-13-20(21)26(32)29(25)19-12-10-11-18(4)17-19/h8-14,17,22H,5-7,15-16H2,1-4H3
InChIKeyUSMHUQUMZTXDJY-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.34
Rot. Bonds9

About ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate

ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate (PubChem CID 42719134) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
PubChem CID42719134
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Nameethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C26H31N3O4/c1-5-22(28(6-2)23(30)15-16-24(31)33-7-3)25-27-21-14-9-8-13-20(21)26(32)29(25)19-12-10-11-18(4)17-19/h8-14,17,22H,5-7,15-16H2,1-4H3
InChIKeyUSMHUQUMZTXDJY-UHFFFAOYSA-N
XLogP4.34
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylbutanamide
CID 42719333
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
CID 42722732
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114
4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657570
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42715489

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate (CID 42719134) is ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate?
The InChIKey is USMHUQUMZTXDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-5-22(28(6-2)23(30)15-16-24(31)33-7-3)25-27-21-14-9-8-13-20(21)26(32)29(25)19-12-10-11-18(4)17-19/h8-14,17,22H,5-7,15-16H2,1-4H3.
What are the key properties of ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate?
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate has a molecular weight of 449.55 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate is sourced from PubChem (CID 42719134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).