7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol

C48H47F5N6O3 — CID 159211357

IUPAC7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol
SMILESC.C.Cc1ccc(C(Nc2ccc(C)nc2)c2ccc3cccnc3c2O)c(F)c1.Cc1ccc(N)cn1.O=Cc1ccc(C(F)(F)F)cc1F.Oc1cccc2cccnc12
InChIInChI=1S/C23H20FN3O.C9H7NO.C8H4F4O.C6H8N2.2CH4/c1-14-5-9-18(20(24)12-14)22(27-17-8-6-15(2)26-13-17)19-10-7-16-4-3-11-25-21(16)23(19)28;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-3-6(8(10,11)12)2-1-5(7)4-13;1-5-2-3-6(7)4-8-5;;/h3-13,22,27-28H,1-2H3;1-6,11H;1-4H;2-4H,7H2,1H3;2*1H4
InChIKeyKQNLONFVWNZYQG-UHFFFAOYSA-N
MW850.93 g/mol
LogP12.13
Rot. Bonds5

About 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol

7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol (PubChem CID 159211357) has the molecular formula C48H47F5N6O3 and a molecular weight of 850.93 g/mol. Its IUPAC name is 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol
PubChem CID159211357
Molecular FormulaC48H47F5N6O3
Molecular Weight850.93 g/mol
Exact Mass850.36
IUPAC Name7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol
SMILESC.C.Cc1ccc(C(Nc2ccc(C)nc2)c2ccc3cccnc3c2O)c(F)c1.Cc1ccc(N)cn1.O=Cc1ccc(C(F)(F)F)cc1F.Oc1cccc2cccnc12
InChIInChI=1S/C23H20FN3O.C9H7NO.C8H4F4O.C6H8N2.2CH4/c1-14-5-9-18(20(24)12-14)22(27-17-8-6-15(2)26-13-17)19-10-7-16-4-3-11-25-21(16)23(19)28;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-3-6(8(10,11)12)2-1-5(7)4-13;1-5-2-3-6(7)4-8-5;;/h3-13,22,27-28H,1-2H3;1-6,11H;1-4H;2-4H,7H2,1H3;2*1H4
InChIKeyKQNLONFVWNZYQG-UHFFFAOYSA-N
XLogP12.13
TPSA147.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.93
LogP ≤ 512.13
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 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-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

N-[(8-Hydroxyquinolin-7-YL)(4-methylphenyl)methyl]benzamide
CID 2871966
n-[(8-Hydroxyquinolin-7-yl)(phenyl)methyl]benzamide
CID 2871881
7-[(4-Fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
CID 58533644
N-[(2-fluorophenyl)(8-hydroxy-7-quinolinyl)methyl]benzamide
CID 23824081
7-[(2-Fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
CID 137639582
Rac-7-((pyridin-3-ylamino)(4-(trifluoromethyl)phenyl)methyl)quinolin-8-ol
CID 2976838
Cambridge id 5838029
CID 2871922
Methyl 3-{[(8-hydroxyquinolin-7-yl)(pyridin-2-yl)methyl]amino}benzoate
CID 16449538
7-[(2,4-Difluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
CID 137644397
Methyl 2-(((8-hydroxy-7-quinolinyl)(2-pyridinyl)methyl)amino)benzoate
CID 251796
N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide
CID 15778956
8-hydroxy-N-[4-(hydroxymethyl)-7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]heptyl]quinoline-7-carboxamide
CID 44333507

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol?
The IUPAC name of 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol (CID 159211357) is 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol.
What is the SMILES notation for 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol?
The canonical SMILES for 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol is C.C.Cc1ccc(C(Nc2ccc(C)nc2)c2ccc3cccnc3c2O)c(F)c1.Cc1ccc(N)cn1.O=Cc1ccc(C(F)(F)F)cc1F.Oc1cccc2cccnc12.
What is the InChIKey of 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol?
The InChIKey is KQNLONFVWNZYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O.C9H7NO.C8H4F4O.C6H8N2.2CH4/c1-14-5-9-18(20(24)12-14)22(27-17-8-6-15(2)26-13-17)19-10-7-16-4-3-11-25-21(16)23(19)28;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-3-6(8(10,11)12)2-1-5(7)4-13;1-5-2-3-6(7)4-8-5;;/h3-13,22,27-28H,1-2H3;1-6,11H;1-4H;2-4H,7H2,1H3;2*1H4.
What are the key properties of 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol?
7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol has a molecular weight of 850.93 g/mol, XLogP of 12.13, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-4-methylphenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol;2-fluoro-4-(trifluoromethyl)benzaldehyde;methane;6-methylpyridin-3-amine;quinolin-8-ol is sourced from PubChem (CID 159211357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).