N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

C18H18F3N3O2 — CID 171904077

IUPACN-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)N(C)CCC2NC(=O)C1C=CC(C(F)(F)F)=NC1=O
InChIInChI=1S/C18H18F3N3O2/c1-10-3-4-11-13(7-8-24(2)14(11)9-10)22-16(25)12-5-6-15(18(19,20)21)23-17(12)26/h3-6,9,12-13H,7-8H2,1-2H3,(H,22,25)
InChIKeyGBXHIEGRSINQIM-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.71
Rot. Bonds2

About N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171904077) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171904077
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)N(C)CCC2NC(=O)C1C=CC(C(F)(F)F)=NC1=O
InChIInChI=1S/C18H18F3N3O2/c1-10-3-4-11-13(7-8-24(2)14(11)9-10)22-16(25)12-5-6-15(18(19,20)21)23-17(12)26/h3-6,9,12-13H,7-8H2,1-2H3,(H,22,25)
InChIKeyGBXHIEGRSINQIM-UHFFFAOYSA-N
XLogP2.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171904077) is N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is Cc1ccc2c(c1)N(C)CCC2NC(=O)C1C=CC(C(F)(F)F)=NC1=O.
What is the InChIKey of N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is GBXHIEGRSINQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-10-3-4-11-13(7-8-24(2)14(11)9-10)22-16(25)12-5-6-15(18(19,20)21)23-17(12)26/h3-6,9,12-13H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171904077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).