N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide

C18H14N4OS — CID 53163531

IUPACN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N4OS/c1-11-16(10-17(24-11)14-8-9-19-22-14)21-18(23)15-7-6-12-4-2-3-5-13(12)20-15/h2-10H,1H3,(H,19,22)(H,21,23)
InChIKeyOTONHGGJNQUIEF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.25
Rot. Bonds3

About N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide

N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide (PubChem CID 53163531) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide
PubChem CID53163531
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N4OS/c1-11-16(10-17(24-11)14-8-9-19-22-14)21-18(23)15-7-6-12-4-2-3-5-13(12)20-15/h2-10H,1H3,(H,19,22)(H,21,23)
InChIKeyOTONHGGJNQUIEF-UHFFFAOYSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide (CID 53163531) is N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide?
The InChIKey is OTONHGGJNQUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-16(10-17(24-11)14-8-9-19-22-14)21-18(23)15-7-6-12-4-2-3-5-13(12)20-15/h2-10H,1H3,(H,19,22)(H,21,23).
What are the key properties of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide?
N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]quinoline-2-carboxamide is sourced from PubChem (CID 53163531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).