7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol

C22H15ClF3N3O — CID 19232932

IUPAC7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2cc(C(F)(F)F)ccc2Cl)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C22H15ClF3N3O/c23-17-8-6-15(22(24,25)26)11-18(17)29-19(14-4-1-9-27-12-14)16-7-5-13-3-2-10-28-20(13)21(16)30/h1-12,19,29-30H
InChIKeyLWQLOZQCSCWUOR-UHFFFAOYSA-N
MW429.83 g/mol
LogP6.21
Rot. Bonds4

About 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol

7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 19232932) has the molecular formula C22H15ClF3N3O and a molecular weight of 429.83 g/mol. Its IUPAC name is 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID19232932
Molecular FormulaC22H15ClF3N3O
Molecular Weight429.83 g/mol
Exact Mass429.09
IUPAC Name7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2cc(C(F)(F)F)ccc2Cl)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C22H15ClF3N3O/c23-17-8-6-15(22(24,25)26)11-18(17)29-19(14-4-1-9-27-12-14)16-7-5-13-3-2-10-28-20(13)21(16)30/h1-12,19,29-30H
InChIKeyLWQLOZQCSCWUOR-UHFFFAOYSA-N
XLogP6.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.83
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3386822
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
CID 1285693
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
N-[(8-nitrosoquinolin-7-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 162586756
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol (CID 19232932) is 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol is Oc1c(C(Nc2cc(C(F)(F)F)ccc2Cl)c2cccnc2)ccc2cccnc12.
What is the InChIKey of 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is LWQLOZQCSCWUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O/c23-17-8-6-15(22(24,25)26)11-18(17)29-19(14-4-1-9-27-12-14)16-7-5-13-3-2-10-28-20(13)21(16)30/h1-12,19,29-30H.
What are the key properties of 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol?
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 429.83 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 19232932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).