7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol

C21H14Cl3N3O — CID 19233022

IUPAC7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cc(Cl)c(Cl)cc2Cl)c2ccncc2)ccc2cccnc12
InChIInChI=1S/C21H14Cl3N3O/c22-15-10-17(24)18(11-16(15)23)27-19(13-5-8-25-9-6-13)14-4-3-12-2-1-7-26-20(12)21(14)28/h1-11,19,27-28H
InChIKeyKXEAUHGOVODWFB-UHFFFAOYSA-N
MW430.72 g/mol
LogP6.50
Rot. Bonds4

About 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol

7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol (PubChem CID 19233022) has the molecular formula C21H14Cl3N3O and a molecular weight of 430.72 g/mol. Its IUPAC name is 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
PubChem CID19233022
Molecular FormulaC21H14Cl3N3O
Molecular Weight430.72 g/mol
Exact Mass429.02
IUPAC Name7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cc(Cl)c(Cl)cc2Cl)c2ccncc2)ccc2cccnc12
InChIInChI=1S/C21H14Cl3N3O/c22-15-10-17(24)18(11-16(15)23)27-19(13-5-8-25-9-6-13)14-4-3-12-2-1-7-26-20(12)21(14)28/h1-11,19,27-28H
InChIKeyKXEAUHGOVODWFB-UHFFFAOYSA-N
XLogP6.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926
7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(4-fluorophenyl)-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233032
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910

Frequently Asked Questions

What is the IUPAC name of 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol?
The IUPAC name of 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol (CID 19233022) is 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol is Oc1c(C(Nc2cc(Cl)c(Cl)cc2Cl)c2ccncc2)ccc2cccnc12.
What is the InChIKey of 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol?
The InChIKey is KXEAUHGOVODWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N3O/c22-15-10-17(24)18(11-16(15)23)27-19(13-5-8-25-9-6-13)14-4-3-12-2-1-7-26-20(12)21(14)28/h1-11,19,27-28H.
What are the key properties of 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol?
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol has a molecular weight of 430.72 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 19233022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).