7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol

C23H17Cl2FN2O — CID 67987497

IUPAC7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccc(F)cc2Cl)c2ccc3cccnc3c2O)ccc1Cl
InChIInChI=1S/C23H17Cl2FN2O/c1-13-11-16(6-9-19(13)24)28-22(17-8-5-15(26)12-20(17)25)18-7-4-14-3-2-10-27-21(14)23(18)29/h2-12,22,28-29H,1H3
InChIKeySLKNUUFHYPKTGA-UHFFFAOYSA-N
MW427.31 g/mol
LogP6.90
Rot. Bonds4

About 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol

7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol (PubChem CID 67987497) has the molecular formula C23H17Cl2FN2O and a molecular weight of 427.31 g/mol. Its IUPAC name is 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
PubChem CID67987497
Molecular FormulaC23H17Cl2FN2O
Molecular Weight427.31 g/mol
Exact Mass426.07
IUPAC Name7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccc(F)cc2Cl)c2ccc3cccnc3c2O)ccc1Cl
InChIInChI=1S/C23H17Cl2FN2O/c1-13-11-16(6-9-19(13)24)28-22(17-8-5-15(26)12-20(17)25)18-7-4-14-3-2-10-27-21(14)23(18)29/h2-12,22,28-29H,1H3
InChIKeySLKNUUFHYPKTGA-UHFFFAOYSA-N
XLogP6.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475105
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(2-chloro-6-fluorophenyl)-[(5-chloro-4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543096
7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3388948
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol
CID 58542856
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol (CID 67987497) is 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol is Cc1cc(NC(c2ccc(F)cc2Cl)c2ccc3cccnc3c2O)ccc1Cl.
What is the InChIKey of 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol?
The InChIKey is SLKNUUFHYPKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O/c1-13-11-16(6-9-19(13)24)28-22(17-8-5-15(26)12-20(17)25)18-7-4-14-3-2-10-27-21(14)23(18)29/h2-12,22,28-29H,1H3.
What are the key properties of 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol?
7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol has a molecular weight of 427.31 g/mol, XLogP of 6.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 67987497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).