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

C19H20F3N3O2 — CID 171904094

IUPACN-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)C2C=CC(C(F)(F)F)=NC2=O)c2ccc(C)cc21
InChIInChI=1S/C19H20F3N3O2/c1-3-25-9-8-14(12-5-4-11(2)10-15(12)25)23-17(26)13-6-7-16(19(20,21)22)24-18(13)27/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,23,26)
InChIKeyVJVXENHPOXSHKR-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.10
Rot. Bonds3

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

N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171904094) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171904094
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)C2C=CC(C(F)(F)F)=NC2=O)c2ccc(C)cc21
InChIInChI=1S/C19H20F3N3O2/c1-3-25-9-8-14(12-5-4-11(2)10-15(12)25)23-17(26)13-6-7-16(19(20,21)22)24-18(13)27/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,23,26)
InChIKeyVJVXENHPOXSHKR-UHFFFAOYSA-N
XLogP3.10
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.10
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-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171904094) is N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is CCN1CCC(NC(=O)C2C=CC(C(F)(F)F)=NC2=O)c2ccc(C)cc21.
What is the InChIKey of N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is VJVXENHPOXSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-3-25-9-8-14(12-5-4-11(2)10-15(12)25)23-17(26)13-6-7-16(19(20,21)22)24-18(13)27/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,23,26).
What are the key properties of N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-7-methyl-3,4-dihydro-2H-quinolin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171904094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).