7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide

C20H21F3N4O3 — CID 56562776

IUPAC7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCNc3ncccc3C(F)(F)F)c(=O)[nH]c2C1
InChIInChI=1S/C20H21F3N4O3/c1-19(2)9-14-11(15(28)10-19)8-12(18(30)27-14)17(29)26-7-6-25-16-13(20(21,22)23)4-3-5-24-16/h3-5,8H,6-7,9-10H2,1-2H3,(H,24,25)(H,26,29)(H,27,30)
InChIKeyGBVOUPLUQCHLCK-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.79
Rot. Bonds5

About 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56562776) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56562776
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCNc3ncccc3C(F)(F)F)c(=O)[nH]c2C1
InChIInChI=1S/C20H21F3N4O3/c1-19(2)9-14-11(15(28)10-19)8-12(18(30)27-14)17(29)26-7-6-25-16-13(20(21,22)23)4-3-5-24-16/h3-5,8H,6-7,9-10H2,1-2H3,(H,24,25)(H,26,29)(H,27,30)
InChIKeyGBVOUPLUQCHLCK-UHFFFAOYSA-N
XLogP2.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 51053291
6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
CID 119219815
N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567475
7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565515
N-[2-(4-bromophenyl)-2-methylpropyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565317
N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56738107
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565626
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 128528204
N',3,3-trimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-1-carboximidamide
CID 111739126
7,7-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560086
N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56562776) is 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCCNc3ncccc3C(F)(F)F)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is GBVOUPLUQCHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-19(2)9-14-11(15(28)10-19)8-12(18(30)27-14)17(29)26-7-6-25-16-13(20(21,22)23)4-3-5-24-16/h3-5,8H,6-7,9-10H2,1-2H3,(H,24,25)(H,26,29)(H,27,30).
What are the key properties of 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56562776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).