(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C22H22ClN5O2 — CID 118022867

IUPAC(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C
InChIInChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3
InChIKeyACQHAIZGTGISMN-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.63
Rot. Bonds4

About (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 118022867) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
PubChem CID118022867
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C
InChIInChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3
InChIKeyACQHAIZGTGISMN-UHFFFAOYSA-N
XLogP3.63
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol with MolForge

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Related Compounds

(4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(2,6-dimethylpyridin-3-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 74221202
(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(2,4-dimethylthiazol-5-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 74221204
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)bis(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 118006127
[4-Chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
CID 118022257
(4-Chloro-2-methoxy-3-((4-(trifluoromethyl)piperidin-1-yl)methyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(2-(trifluoromethyl)pyridin-4-yl)methanol
CID 118022425
US10201546, Example 136a
CID 118023050
[4-Chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2,6-dimethylpyridin-4-yl)-(3-methyltriazol-4-yl)methanol
CID 118023081
CID 162677478
CID 162677478
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 74220611
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)bis(1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 74220947
(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221008
1-(4-((3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(hydroxy)(phenyl)methyl)piperidin-1-yl)ethanone
CID 74221465

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 118022867) is (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C.
What is the InChIKey of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is ACQHAIZGTGISMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3.
What are the key properties of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 423.90 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 118022867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).