methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate

C17H16N4O4S — CID 135909876

IUPACmethyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H16N4O4S/c1-21(17(24)19-12-7-8-26-14(12)16(23)25-2)9-13-18-11-6-4-3-5-10(11)15(22)20-13/h3-8H,9H2,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyGBLGGGDWJPTJHR-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.44
Rot. Bonds4

About methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate

methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate (PubChem CID 135909876) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate
PubChem CID135909876
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Namemethyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H16N4O4S/c1-21(17(24)19-12-7-8-26-14(12)16(23)25-2)9-13-18-11-6-4-3-5-10(11)15(22)20-13/h3-8H,9H2,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyGBLGGGDWJPTJHR-UHFFFAOYSA-N
XLogP2.44
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate 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

3-(4-methoxy-2-nitrophenyl)-1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135949290
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 135429181
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylsulfanylethyl)urea
CID 135549209
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135886880
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate
CID 3130429
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 135899747
3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136873354

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate (CID 135909876) is methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate?
The InChIKey is GBLGGGDWJPTJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-21(17(24)19-12-7-8-26-14(12)16(23)25-2)9-13-18-11-6-4-3-5-10(11)15(22)20-13/h3-8H,9H2,1-2H3,(H,19,24)(H,18,20,22).
What are the key properties of methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate?
methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate has a molecular weight of 372.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 135909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).