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

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Related Compounds

7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932
1-[(2-bromo-3-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 89311069
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
1-[(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 71144582
2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3386822
N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine
CID 123454613
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232901
1-[(S)-(3-propyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 71144426
4-[[(4-bromophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid
CID 127041093
7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 6988629

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).