7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol

C21H15Cl3N2O2 — CID 19233031

IUPAC7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cc(Cl)c(Cl)cc3Cl)c3ccco3)c(O)c2n1
InChIInChI=1S/C21H15Cl3N2O2/c1-11-4-5-12-6-7-13(21(27)19(12)25-11)20(18-3-2-8-28-18)26-17-10-15(23)14(22)9-16(17)24/h2-10,20,26-27H,1H3
InChIKeyZMTOAOJZERKIST-UHFFFAOYSA-N
MW433.72 g/mol
LogP7.00
Rot. Bonds4

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

7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol (PubChem CID 19233031) has the molecular formula C21H15Cl3N2O2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
PubChem CID19233031
Molecular FormulaC21H15Cl3N2O2
Molecular Weight433.72 g/mol
Exact Mass432.02
IUPAC Name7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cc(Cl)c(Cl)cc3Cl)c3ccco3)c(O)c2n1
InChIInChI=1S/C21H15Cl3N2O2/c1-11-4-5-12-6-7-13(21(27)19(12)25-11)20(18-3-2-8-28-18)26-17-10-15(23)14(22)9-16(17)24/h2-10,20,26-27H,1H3
InChIKeyZMTOAOJZERKIST-UHFFFAOYSA-N
XLogP7.00
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 57.00
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-[(4-fluorophenyl)-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233032
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
CID 19232966
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2054369
7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19233228
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[[(3,5-dichloro-2-pyridinyl)amino]-(3-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 50740058

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol (CID 19233031) is 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol is Cc1ccc2ccc(C(Nc3cc(Cl)c(Cl)cc3Cl)c3ccco3)c(O)c2n1.
What is the InChIKey of 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol?
The InChIKey is ZMTOAOJZERKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2/c1-11-4-5-12-6-7-13(21(27)19(12)25-11)20(18-3-2-8-28-18)26-17-10-15(23)14(22)9-16(17)24/h2-10,20,26-27H,1H3.
What are the key properties of 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol?
7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol has a molecular weight of 433.72 g/mol, XLogP of 7.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 19233031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).