N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

C20H22FN5O — CID 45247814

IUPACN-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc23)C1
InChIInChI=1S/C20H22FN5O/c1-2-26-7-3-4-15(12-26)24-20(27)17-9-18(13-10-22-23-11-13)25-19-8-14(21)5-6-16(17)19/h5-6,8-11,15H,2-4,7,12H2,1H3,(H,22,23)(H,24,27)
InChIKeyHZNQLTQHUZMDGG-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.98
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 45247814) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
PubChem CID45247814
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc23)C1
InChIInChI=1S/C20H22FN5O/c1-2-26-7-3-4-15(12-26)24-20(27)17-9-18(13-10-22-23-11-13)25-19-8-14(21)5-6-16(17)19/h5-6,8-11,15H,2-4,7,12H2,1H3,(H,22,23)(H,24,27)
InChIKeyHZNQLTQHUZMDGG-UHFFFAOYSA-N
XLogP2.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
CID 92591236
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
CID 45170761

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide (CID 45247814) is N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide is CCN1CCCC(NC(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc23)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is HZNQLTQHUZMDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-2-26-7-3-4-15(12-26)24-20(27)17-9-18(13-10-22-23-11-13)25-19-8-14(21)5-6-16(17)19/h5-6,8-11,15H,2-4,7,12H2,1H3,(H,22,23)(H,24,27).
What are the key properties of N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 45247814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).