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

C18H13FN4O2S — CID 74244214

IUPAC7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1cccs1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C18H13FN4O2S/c19-11-3-4-12-13(7-16(24)22-14(12)6-11)18(25)20-8-10-9-21-23-17(10)15-2-1-5-26-15/h1-7,9H,8H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyQFZYPUNZEZMZML-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.05
Rot. Bonds4

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

7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide (PubChem CID 74244214) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide
PubChem CID74244214
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cn[nH]c1-c1cccs1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C18H13FN4O2S/c19-11-3-4-12-13(7-16(24)22-14(12)6-11)18(25)20-8-10-9-21-23-17(10)15-2-1-5-26-15/h1-7,9H,8H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyQFZYPUNZEZMZML-UHFFFAOYSA-N
XLogP3.05
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide (CID 74244214) is 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide is O=C(NCc1cn[nH]c1-c1cccs1)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide?
The InChIKey is QFZYPUNZEZMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-11-3-4-12-13(7-16(24)22-14(12)6-11)18(25)20-8-10-9-21-23-17(10)15-2-1-5-26-15/h1-7,9H,8H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 74244214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).