4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

C21H17FN4O — CID 162633536

IUPAC4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(-c2cnc3cccc(F)c3c2)cc1
InChIInChI=1S/C21H17FN4O/c1-26(13-17-9-10-24-25-17)21(27)15-7-5-14(6-8-15)16-11-18-19(22)3-2-4-20(18)23-12-16/h2-12H,13H2,1H3,(H,24,25)
InChIKeyIETLWATZXGDWKD-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.04
Rot. Bonds4

About 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 162633536) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID162633536
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(-c2cnc3cccc(F)c3c2)cc1
InChIInChI=1S/C21H17FN4O/c1-26(13-17-9-10-24-25-17)21(27)15-7-5-14(6-8-15)16-11-18-19(22)3-2-4-20(18)23-12-16/h2-12H,13H2,1H3,(H,24,25)
InChIKeyIETLWATZXGDWKD-UHFFFAOYSA-N
XLogP4.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide
CID 155909866
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 26405398
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
CID 119071382
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
N-ethyl-2-(5-fluoroquinolin-3-yl)benzamide
CID 155510016
N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride
CID 154897636
4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide
CID 57434970
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
4-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 64510878
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 162633536) is 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide is CN(Cc1ccn[nH]1)C(=O)c1ccc(-c2cnc3cccc(F)c3c2)cc1.
What is the InChIKey of 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is IETLWATZXGDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-26(13-17-9-10-24-25-17)21(27)15-7-5-14(6-8-15)16-11-18-19(22)3-2-4-20(18)23-12-16/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 162633536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).