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

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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).