3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide

C18H15N5O2S — CID 77079483

IUPAC3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3cn[nH]c3-c3cccs3)ccc2c1=O
InChIInChI=1S/C18H15N5O2S/c1-23-10-20-14-7-11(4-5-13(14)18(23)25)17(24)19-8-12-9-21-22-16(12)15-3-2-6-26-15/h2-7,9-10H,8H2,1H3,(H,19,24)(H,21,22)
InChIKeyHPJGYEPQTLLWKT-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.32
Rot. Bonds4

About 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide

3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide (PubChem CID 77079483) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide
PubChem CID77079483
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3cn[nH]c3-c3cccs3)ccc2c1=O
InChIInChI=1S/C18H15N5O2S/c1-23-10-20-14-7-11(4-5-13(14)18(23)25)17(24)19-8-12-9-21-22-16(12)15-3-2-6-26-15/h2-7,9-10H,8H2,1H3,(H,19,24)(H,21,22)
InChIKeyHPJGYEPQTLLWKT-UHFFFAOYSA-N
XLogP2.32
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide 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-Cyclohexyl-6-(3-methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4(3h)-one
CID 136443811
6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603187
6-(5-methyl-1H-pyrazol-4-yl)-2-[(3-phenylpyrrolidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603231
6-(5-methyl-1H-pyrazol-4-yl)-2-[phenyl(pyrrolidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603324
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
N-(2-(6-oxo-4-phenylpyrimidin-1(6H)-yl)ethyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 56724540
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 135591403
2-phenyl-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112231
5-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 36172587
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 46592063
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]thieno[3,2-d]pyrimidin-4 (3H)-one
CID 136007759
4-oxo-6-(1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)-3H-quinazoline-2-carboxamide
CID 136431008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide (CID 77079483) is 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide is Cn1cnc2cc(C(=O)NCc3cn[nH]c3-c3cccs3)ccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide?
The InChIKey is HPJGYEPQTLLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-23-10-20-14-7-11(4-5-13(14)18(23)25)17(24)19-8-12-9-21-22-16(12)15-3-2-6-26-15/h2-7,9-10H,8H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide?
3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide is sourced from PubChem (CID 77079483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).