4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid

C12H13F3N2O2 — CID 82626109

IUPAC4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid
SMILESCN1CCC(N)(C(=O)O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N2O2/c1-17-5-4-11(16,10(18)19)8-6-7(12(13,14)15)2-3-9(8)17/h2-3,6H,4-5,16H2,1H3,(H,18,19)
InChIKeyRSSKXSZAXPCREO-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.78
Rot. Bonds1

About 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid

4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid (PubChem CID 82626109) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid
PubChem CID82626109
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid
SMILESCN1CCC(N)(C(=O)O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N2O2/c1-17-5-4-11(16,10(18)19)8-6-7(12(13,14)15)2-3-9(8)17/h2-3,6H,4-5,16H2,1H3,(H,18,19)
InChIKeyRSSKXSZAXPCREO-UHFFFAOYSA-N
XLogP1.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1'-dimethyl-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 70927045
1-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625986
7-methyl-4-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 68524778
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
1-[2-amino-5-(trifluoromethyl)phenyl]cycloheptane-1-carboxylic acid
CID 106702526
(3aS,8bS)-3,4-dimethyl-3a-phenyl-7-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
CID 162656627
4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid
CID 83906432
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
tert-butyl 2-amino-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylate
CID 154450579
1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
2-(4,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide
CID 62932311
4-chloro-2-ethyl-6-(trifluoromethyl)-2,3-dihydroquinoline-1,4-dicarboxylic acid
CID 91086040

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid?
The IUPAC name of 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid (CID 82626109) is 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid?
The canonical SMILES for 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid is CN1CCC(N)(C(=O)O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid?
The InChIKey is RSSKXSZAXPCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-17-5-4-11(16,10(18)19)8-6-7(12(13,14)15)2-3-9(8)17/h2-3,6H,4-5,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid?
4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82626109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).