4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol

C44H30Cl2F8N6O3 — CID 157207619

IUPAC4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol
SMILESNc1ccc(F)cn1.O=Cc1ccc(Cl)c(C(F)(F)F)c1.Oc1c(C(Nc2ccc(F)cn2)c2ccc(Cl)c(C(F)(F)F)c2)ccc2cccnc12.Oc1cccc2cccnc12
InChIInChI=1S/C22H14ClF4N3O.C9H7NO.C8H4ClF3O.C5H5FN2/c23-17-7-4-13(10-16(17)22(25,26)27)19(30-18-8-5-14(24)11-29-18)15-6-3-12-2-1-9-28-20(12)21(15)31;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-2-1-5(4-13)3-6(7)8(10,11)12;6-4-1-2-5(7)8-3-4/h1-11,19,31H,(H,29,30);1-6,11H;1-4H;1-3H,(H2,7,8)
InChIKeyARNJVOJGLKWROJ-UHFFFAOYSA-N
MW913.65 g/mol
LogP12.26
Rot. Bonds5

About 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol

4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol (PubChem CID 157207619) has the molecular formula C44H30Cl2F8N6O3 and a molecular weight of 913.65 g/mol. Its IUPAC name is 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol.

Molecular Properties

Compound Name4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol
PubChem CID157207619
Molecular FormulaC44H30Cl2F8N6O3
Molecular Weight913.65 g/mol
Exact Mass912.16
IUPAC Name4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol
SMILESNc1ccc(F)cn1.O=Cc1ccc(Cl)c(C(F)(F)F)c1.Oc1c(C(Nc2ccc(F)cn2)c2ccc(Cl)c(C(F)(F)F)c2)ccc2cccnc12.Oc1cccc2cccnc12
InChIInChI=1S/C22H14ClF4N3O.C9H7NO.C8H4ClF3O.C5H5FN2/c23-17-7-4-13(10-16(17)22(25,26)27)19(30-18-8-5-14(24)11-29-18)15-6-3-12-2-1-9-28-20(12)21(15)31;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-2-1-5(4-13)3-6(7)8(10,11)12;6-4-1-2-5(7)8-3-4/h1-11,19,31H,(H,29,30);1-6,11H;1-4H;1-3H,(H2,7,8)
InChIKeyARNJVOJGLKWROJ-UHFFFAOYSA-N
XLogP12.26
TPSA147.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.65
LogP ≤ 512.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[(5-Chloropyridin-2-yl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 58543184
7-[[(5-Chloro-3-methylpyridin-2-yl)amino]-[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 67987469
7-[[4-Chloro-3-(trifluoromethyl)phenyl]-[(4-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol
CID 53307496
7-[(2-Chloro-5-methylphenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58542723
7-[[(5-Chloro-4-methylpyridin-2-yl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 58542841
7-[[4-Chloro-3-(trifluoromethyl)phenyl]-[(5-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58542871
7-[(2,4-Dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58542876
7-[(2,4-Dichlorophenyl)-[(3,5-difluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58542924
7-[[4-Chloro-3-(trifluoromethyl)phenyl]-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 58542952
7-[(2-Chloro-6-fluorophenyl)-[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543035
7-[[4-Chloro-3-(trifluoromethyl)phenyl]-[(5-fluoropyridin-2-yl)amino]methyl]quinolin-8-ol
CID 58543043
7-[(2-Chloro-4-fluorophenyl)-[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol?
The IUPAC name of 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol (CID 157207619) is 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol.
What is the SMILES notation for 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol?
The canonical SMILES for 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol is Nc1ccc(F)cn1.O=Cc1ccc(Cl)c(C(F)(F)F)c1.Oc1c(C(Nc2ccc(F)cn2)c2ccc(Cl)c(C(F)(F)F)c2)ccc2cccnc12.Oc1cccc2cccnc12.
What is the InChIKey of 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol?
The InChIKey is ARNJVOJGLKWROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N3O.C9H7NO.C8H4ClF3O.C5H5FN2/c23-17-7-4-13(10-16(17)22(25,26)27)19(30-18-8-5-14(24)11-29-18)15-6-3-12-2-1-9-28-20(12)21(15)31;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-2-1-5(4-13)3-6(7)8(10,11)12;6-4-1-2-5(7)8-3-4/h1-11,19,31H,(H,29,30);1-6,11H;1-4H;1-3H,(H2,7,8).
What are the key properties of 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol?
4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol has a molecular weight of 913.65 g/mol, XLogP of 12.26, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(trifluoromethyl)benzaldehyde;7-[[4-chloro-3-(trifluoromethyl)phenyl]-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol;5-fluoropyridin-2-amine;quinolin-8-ol is sourced from PubChem (CID 157207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).