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

C11H7ClF3N3O — CID 22595775

IUPAC3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESNC(=O)c1nc2ccc(Cl)cc2c(C(F)(F)F)c1N
InChIInChI=1S/C11H7ClF3N3O/c12-4-1-2-6-5(3-4)7(11(13,14)15)8(16)9(18-6)10(17)19/h1-3H,16H2,(H2,17,19)
InChIKeyOQDJKACVZYTBPG-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.59
Rot. Bonds1

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

3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 22595775) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID22595775
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESNC(=O)c1nc2ccc(Cl)cc2c(C(F)(F)F)c1N
InChIInChI=1S/C11H7ClF3N3O/c12-4-1-2-6-5(3-4)7(11(13,14)15)8(16)9(18-6)10(17)19/h1-3H,16H2,(H2,17,19)
InChIKeyOQDJKACVZYTBPG-UHFFFAOYSA-N
XLogP2.59
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide (CID 22595775) is 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide is NC(=O)c1nc2ccc(Cl)cc2c(C(F)(F)F)c1N.
What is the InChIKey of 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is OQDJKACVZYTBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-4-1-2-6-5(3-4)7(11(13,14)15)8(16)9(18-6)10(17)19/h1-3H,16H2,(H2,17,19).
What are the key properties of 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide?
3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 289.64 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 22595775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).