N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

C22H15F3N4O — CID 162586756

IUPACN-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESO=Nc1c(C(Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)16-8-5-15(6-9-16)19(28-17-4-2-11-26-13-17)18-10-7-14-3-1-12-27-20(14)21(18)29-30/h1-13,19,28H
InChIKeyJFHKEOXAAKHIRP-UHFFFAOYSA-N
MW408.38 g/mol
LogP6.25
Rot. Bonds5

About N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (PubChem CID 162586756) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
PubChem CID162586756
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC NameN-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESO=Nc1c(C(Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)16-8-5-15(6-9-16)19(28-17-4-2-11-26-13-17)18-10-7-14-3-1-12-27-20(14)21(18)29-30/h1-13,19,28H
InChIKeyJFHKEOXAAKHIRP-UHFFFAOYSA-N
XLogP6.25
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine 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-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (CID 162586756) is N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is O=Nc1c(C(Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12.
What is the InChIKey of N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is JFHKEOXAAKHIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)16-8-5-15(6-9-16)19(28-17-4-2-11-26-13-17)18-10-7-14-3-1-12-27-20(14)21(18)29-30/h1-13,19,28H.
What are the key properties of N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 408.38 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 162586756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).