ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate

C33H34N4O7 — CID 98209738

IUPACethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21
InChIInChI=1S/C33H34N4O7/c1-2-43-32(41)25-12-6-7-13-27(25)35-29(38)21-36-28-19-23(30(39)34-17-16-22-9-4-3-5-10-22)14-15-26(28)31(40)37(33(36)42)20-24-11-8-18-44-24/h3-7,9-10,12-15,19,24H,2,8,11,16-18,20-21H2,1H3,(H,34,39)(H,35,38)/t24-/m1/s1
InChIKeyFYMAFVDGZHZQMN-XMMPIXPASA-N
MW598.66 g/mol
LogP3.13
Rot. Bonds11

About ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate

ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate (PubChem CID 98209738) has the molecular formula C33H34N4O7 and a molecular weight of 598.66 g/mol. Its IUPAC name is ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate
PubChem CID98209738
Molecular FormulaC33H34N4O7
Molecular Weight598.66 g/mol
Exact Mass598.24
IUPAC Nameethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21
InChIInChI=1S/C33H34N4O7/c1-2-43-32(41)25-12-6-7-13-27(25)35-29(38)21-36-28-19-23(30(39)34-17-16-22-9-4-3-5-10-22)14-15-26(28)31(40)37(33(36)42)20-24-11-8-18-44-24/h3-7,9-10,12-15,19,24H,2,8,11,16-18,20-21H2,1H3,(H,34,39)(H,35,38)/t24-/m1/s1
InChIKeyFYMAFVDGZHZQMN-XMMPIXPASA-N
XLogP3.13
TPSA137.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.66
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxo-3-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 98194424
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46247897
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 22430102
1-[2-(5-chloro-2-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;N-cyclopentyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxoquinazoline-7-carboxamide;N-cyclopentyl-3-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazoline-7-carboxamide;1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide;1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 159156087
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254640
ethyl 4-[[2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 22430059
1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(4-ethylphenyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254602
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110278215
ethyl 2-[[2-[(5R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 40910451
1-[3-(4-bromophenyl)-2-oxopropyl]-3-(oxolan-2-ylmethyl)-7-(4-phenylbutanoyl)quinazoline-2,4-dione
CID 165011424
1-[2-(4-bromoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 46254592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate (CID 98209738) is ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21.
What is the InChIKey of ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate?
The InChIKey is FYMAFVDGZHZQMN-XMMPIXPASA-N. The full InChI is InChI=1S/C33H34N4O7/c1-2-43-32(41)25-12-6-7-13-27(25)35-29(38)21-36-28-19-23(30(39)34-17-16-22-9-4-3-5-10-22)14-15-26(28)31(40)37(33(36)42)20-24-11-8-18-44-24/h3-7,9-10,12-15,19,24H,2,8,11,16-18,20-21H2,1H3,(H,34,39)(H,35,38)/t24-/m1/s1.
What are the key properties of ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate has a molecular weight of 598.66 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 98209738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).