N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide

C18H19FN4O — CID 50981969

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)c2ccc3cccc(F)c3n2)[nH]n1
InChIInChI=1S/C18H19FN4O/c1-18(2,3)15-9-12(22-23-15)10-20-17(24)14-8-7-11-5-4-6-13(19)16(11)21-14/h4-9H,10H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyOTAGHXYPIZOAJZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.32
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide (PubChem CID 50981969) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
PubChem CID50981969
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)c2ccc3cccc(F)c3n2)[nH]n1
InChIInChI=1S/C18H19FN4O/c1-18(2,3)15-9-12(22-23-15)10-20-17(24)14-8-7-11-5-4-6-13(19)16(11)21-14/h4-9H,10H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyOTAGHXYPIZOAJZ-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
8-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464521
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 118775393
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
methyl 8-fluoroquinoline-2-carboxylate;2,2,2-trifluoroacetic acid
CID 175906706
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91833520
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
N-benzyl-8-hydroxyquinoline-2-carboxamide
CID 46364206
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97207810
8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 131899479

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide (CID 50981969) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide is CC(C)(C)c1cc(CNC(=O)c2ccc3cccc(F)c3n2)[nH]n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide?
The InChIKey is OTAGHXYPIZOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-18(2,3)15-9-12(22-23-15)10-20-17(24)14-8-7-11-5-4-6-13(19)16(11)21-14/h4-9H,10H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 50981969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).