[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H19N3O4S — CID 135831887

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCN(Cc1cccs1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O4S/c1-22(11-13-5-4-10-27-13)17(23)12-26-18(24)9-8-16-20-15-7-3-2-6-14(15)19(25)21-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21,25)
InChIKeySXRYGEFGVBZTTC-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.12
Rot. Bonds7

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135831887) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135831887
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCN(Cc1cccs1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O4S/c1-22(11-13-5-4-10-27-13)17(23)12-26-18(24)9-8-16-20-15-7-3-2-6-14(15)19(25)21-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21,25)
InChIKeySXRYGEFGVBZTTC-UHFFFAOYSA-N
XLogP2.12
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate 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

[2-(N-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135478532
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135738591
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
(2-methyl-1,3-thiazol-4-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831748
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
1,3-benzothiazol-2-ylmethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135545643
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135445852
(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135797631
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135831887) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is CN(Cc1cccs1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is SXRYGEFGVBZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-22(11-13-5-4-10-27-13)17(23)12-26-18(24)9-8-16-20-15-7-3-2-6-14(15)19(25)21-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21,25).
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 385.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135831887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).