1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide

C15H13F3N4O2 — CID 146139808

IUPAC1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cc(C(F)(F)F)[nH]n2)c2ccccc21
InChIInChI=1S/C15H13F3N4O2/c1-22-10-5-3-2-4-8(10)9(6-13(22)23)14(24)19-12-7-11(20-21-12)15(16,17)18/h2-5,7,9H,6H2,1H3,(H2,19,20,21,24)
InChIKeyRLVJJFRENSRSGO-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.52
Rot. Bonds2

About 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide

1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide (PubChem CID 146139808) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
PubChem CID146139808
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cc(C(F)(F)F)[nH]n2)c2ccccc21
InChIInChI=1S/C15H13F3N4O2/c1-22-10-5-3-2-4-8(10)9(6-13(22)23)14(24)19-12-7-11(20-21-12)15(16,17)18/h2-5,7,9H,6H2,1H3,(H2,19,20,21,24)
InChIKeyRLVJJFRENSRSGO-UHFFFAOYSA-N
XLogP2.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide (CID 146139808) is 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide is CN1C(=O)CC(C(=O)Nc2cc(C(F)(F)F)[nH]n2)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is RLVJJFRENSRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-22-10-5-3-2-4-8(10)9(6-13(22)23)14(24)19-12-7-11(20-21-12)15(16,17)18/h2-5,7,9H,6H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide?
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 146139808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).