N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride

C19H14ClF6N3O — CID 44533503

IUPACN-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1.Cl
InChIInChI=1S/C19H13F6N3O.ClH/c1-9-4-15(26)14-8-13(2-3-16(14)27-9)28-17(29)10-5-11(18(20,21)22)7-12(6-10)19(23,24)25;/h2-8H,1H3,(H2,26,27)(H,28,29);1H
InChIKeyAAWBBOCCQMXXMD-UHFFFAOYSA-N
MW449.78 g/mol
LogP5.84
Rot. Bonds2

About N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride

N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride (PubChem CID 44533503) has the molecular formula C19H14ClF6N3O and a molecular weight of 449.78 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
PubChem CID44533503
Molecular FormulaC19H14ClF6N3O
Molecular Weight449.78 g/mol
Exact Mass449.07
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1.Cl
InChIInChI=1S/C19H13F6N3O.ClH/c1-9-4-15(26)14-8-13(2-3-16(14)27-9)28-17(29)10-5-11(18(20,21)22)7-12(6-10)19(23,24)25;/h2-8H,1H3,(H2,26,27)(H,28,29);1H
InChIKeyAAWBBOCCQMXXMD-UHFFFAOYSA-N
XLogP5.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.78
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride (CID 44533503) is N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride is Cc1cc(N)c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1.Cl.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is AAWBBOCCQMXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O.ClH/c1-9-4-15(26)14-8-13(2-3-16(14)27-9)28-17(29)10-5-11(18(20,21)22)7-12(6-10)19(23,24)25;/h2-8H,1H3,(H2,26,27)(H,28,29);1H.
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 449.78 g/mol, XLogP of 5.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 44533503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).