N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide

C22H17F3N4O — CID 164806019

IUPACN-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3cccnc3c2)c1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C22H17F3N4O/c1-13-5-3-7-16(20(13)18-12-19(22(23,24)25)28-29(18)2)27-21(30)15-9-8-14-6-4-10-26-17(14)11-15/h3-12H,1-2H3,(H,27,30)
InChIKeyWLUGIEWPRXDWPR-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.21
Rot. Bonds3

About N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide

N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide (PubChem CID 164806019) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide
PubChem CID164806019
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3cccnc3c2)c1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C22H17F3N4O/c1-13-5-3-7-16(20(13)18-12-19(22(23,24)25)28-29(18)2)27-21(30)15-9-8-14-6-4-10-26-17(14)11-15/h3-12H,1-2H3,(H,27,30)
InChIKeyWLUGIEWPRXDWPR-UHFFFAOYSA-N
XLogP5.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide
CID 155288006
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
N-(3-benzamido-4-methylphenyl)quinoline-7-carboxamide
CID 58842913
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
CID 153188718
3-amino-N-(1-benzofuran-2-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 54596347
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide?
The IUPAC name of N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide (CID 164806019) is N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide?
The canonical SMILES for N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide is Cc1cccc(NC(=O)c2ccc3cccnc3c2)c1-c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide?
The InChIKey is WLUGIEWPRXDWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-13-5-3-7-16(20(13)18-12-19(22(23,24)25)28-29(18)2)27-21(30)15-9-8-14-6-4-10-26-17(14)11-15/h3-12H,1-2H3,(H,27,30).
What are the key properties of N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide?
N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide is sourced from PubChem (CID 164806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).