3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide

C12H10F3N3O — CID 142268929

IUPAC3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1ccc2nc(C(N)=O)c(N)c(C(F)(F)F)c2c1
InChIInChI=1S/C12H10F3N3O/c1-5-2-3-7-6(4-5)8(12(13,14)15)9(16)10(18-7)11(17)19/h2-4H,16H2,1H3,(H2,17,19)
InChIKeyFZVQUIJMWPVRHR-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.24
Rot. Bonds1

About 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide

3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 142268929) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID142268929
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1ccc2nc(C(N)=O)c(N)c(C(F)(F)F)c2c1
InChIInChI=1S/C12H10F3N3O/c1-5-2-3-7-6(4-5)8(12(13,14)15)9(16)10(18-7)11(17)19/h2-4H,16H2,1H3,(H2,17,19)
InChIKeyFZVQUIJMWPVRHR-UHFFFAOYSA-N
XLogP2.24
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide
CID 22595775
4-amino-7-methylcinnoline-3-carboxamide
CID 13169388
[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid
CID 75486024
2-amino-N,N-diethyl-6-methylquinazoline-4-carboxamide
CID 25160377
6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride
CID 89488507
4-chloro-6-methylquinoline-2-carboxamide
CID 14991372
6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 66724598
3,4-diamino-6-methylquinazolin-2-one;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 123983137
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 21003576
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
6-fluoro-2-methylquinazoline-4-carboxamide
CID 171383958

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide (CID 142268929) is 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide is Cc1ccc2nc(C(N)=O)c(N)c(C(F)(F)F)c2c1.
What is the InChIKey of 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is FZVQUIJMWPVRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-5-2-3-7-6(4-5)8(12(13,14)15)9(16)10(18-7)11(17)19/h2-4H,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide?
3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 142268929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).