7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

C22H19FN3O+ — CID 7012652

IUPAC7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(N[C@@H](c2cccc(F)c2)c2ccc3cccnc3c2O)[nH+]1
InChIInChI=1S/C22H18FN3O/c1-14-5-2-9-19(25-14)26-20(16-6-3-8-17(23)13-16)18-11-10-15-7-4-12-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)/p+1/t20-/m0/s1
InChIKeyXKFLXZSCIQRNTM-FQEVSTJZSA-O
MW360.41 g/mol
LogP4.40
Rot. Bonds4

About 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol (PubChem CID 7012652) has the molecular formula C22H19FN3O+ and a molecular weight of 360.41 g/mol. Its IUPAC name is 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
PubChem CID7012652
Molecular FormulaC22H19FN3O+
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(N[C@@H](c2cccc(F)c2)c2ccc3cccnc3c2O)[nH+]1
InChIInChI=1S/C22H18FN3O/c1-14-5-2-9-19(25-14)26-20(16-6-3-8-17(23)13-16)18-11-10-15-7-4-12-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)/p+1/t20-/m0/s1
InChIKeyXKFLXZSCIQRNTM-FQEVSTJZSA-O
XLogP4.40
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.40
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-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
CID 3642270
2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 7029562
7-[(4-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol
CID 4748932
7-[(S)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7106312
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475105
7-[pyridin-1-ium-3-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 4196680
7-[(S)-(2-chloro-6-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
CID 7031432
7-[[(3,5-dichloro-2-pyridinyl)amino]-(3-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 50740058
7-[1-(3-fluorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58542815
7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
CID 4583594
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol (CID 7012652) is 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol is Cc1cccc(N[C@@H](c2cccc(F)c2)c2ccc3cccnc3c2O)[nH+]1.
What is the InChIKey of 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol?
The InChIKey is XKFLXZSCIQRNTM-FQEVSTJZSA-O. The full InChI is InChI=1S/C22H18FN3O/c1-14-5-2-9-19(25-14)26-20(16-6-3-8-17(23)13-16)18-11-10-15-7-4-12-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)/p+1/t20-/m0/s1.
What are the key properties of 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol?
7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol has a molecular weight of 360.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 7012652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).