7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide

C18H17F3N4O2 — CID 30869721

IUPAC7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)N(C)C)cc(-c3cnn(CC(F)(F)F)c3)nc2c1
InChIInChI=1S/C18H17F3N4O2/c1-24(2)17(26)14-7-15(11-8-22-25(9-11)10-18(19,20)21)23-16-6-12(27-3)4-5-13(14)16/h4-9H,10H2,1-3H3
InChIKeyVQEQOFNZGDMNKV-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.37
Rot. Bonds4

About 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide

7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 30869721) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID30869721
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)N(C)C)cc(-c3cnn(CC(F)(F)F)c3)nc2c1
InChIInChI=1S/C18H17F3N4O2/c1-24(2)17(26)14-7-15(11-8-22-25(9-11)10-18(19,20)21)23-16-6-12(27-3)4-5-13(14)16/h4-9H,10H2,1-3H3
InChIKeyVQEQOFNZGDMNKV-UHFFFAOYSA-N
XLogP3.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-Tert-Butyl-3-(7-Ethoxyquinolin-3-Yl)-1h-Pyrazole-4-Carboxamide
CID 73254853
5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 86342141
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
Dihydropyrrolopyrazole, 20b
CID 24776254
Dihydropyrrolopyrazole, 22
CID 24776256
1-Methyl-5-(1-Methyl-3-{[4-(Quinolin-2-Yl)phenoxy]methyl}-1h-Pyrazol-4-Yl)pyridin-2(1h)-One
CID 66555959
N-hydroxy-7-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxyheptanamide
CID 145965638
6-(1-Methylpyrazol-4-yl)-2-[2-[7-(6-oxoheptoxy)quinolin-4-yl]oxyethyl]pyridazin-3-one
CID 145968221
N-hydroxy-6-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxyhexanamide
CID 145976817
2-(4-Methoxy-phenyl)-4-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-quinoline
CID 1151462

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 30869721) is 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide is COc1ccc2c(C(=O)N(C)C)cc(-c3cnn(CC(F)(F)F)c3)nc2c1.
What is the InChIKey of 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is VQEQOFNZGDMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-24(2)17(26)14-7-15(11-8-22-25(9-11)10-18(19,20)21)23-16-6-12(27-3)4-5-13(14)16/h4-9H,10H2,1-3H3.
What are the key properties of 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide?
7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,N-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 30869721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).