[4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C26H24ClN7O3 — CID 118022680

IUPAC[4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ncccn1
InChIInChI=1S/C26H24ClN7O3/c1-15-6-8-19(16(2)31-15)26(35,21-13-30-33-34(21)3)17-7-9-20-18(12-17)23(27)24(25(32-20)36-4)37-14-22-28-10-5-11-29-22/h5-13,35H,14H2,1-4H3
InChIKeyCEVAEZHECHOOBX-UHFFFAOYSA-N
MW517.98 g/mol
LogP3.69
Rot. Bonds7

About [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 118022680) has the molecular formula C26H24ClN7O3 and a molecular weight of 517.98 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
PubChem CID118022680
Molecular FormulaC26H24ClN7O3
Molecular Weight517.98 g/mol
Exact Mass517.16
IUPAC Name[4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ncccn1
InChIInChI=1S/C26H24ClN7O3/c1-15-6-8-19(16(2)31-15)26(35,21-13-30-33-34(21)3)17-7-9-20-18(12-17)23(27)24(25(32-20)36-4)37-14-22-28-10-5-11-29-22/h5-13,35H,14H2,1-4H3
InChIKeyCEVAEZHECHOOBX-UHFFFAOYSA-N
XLogP3.69
TPSA120.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.98
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
CID 138115387
(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-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 118006492
[4-Chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol
CID 118022419
(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
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74220546
[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
(4-Chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 74222308
1-(4-((3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)piperidin-1-yl)ethanone
CID 86715668
5-[4-Chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-2-methoxyquinolin-3-yl]pyrimidine-2-carbonitrile
CID 118005577
(3-Benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 118006189
US10201546, Example 69a
CID 118022319

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 118022680) is [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ncccn1.
What is the InChIKey of [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is CEVAEZHECHOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3/c1-15-6-8-19(16(2)31-15)26(35,21-13-30-33-34(21)3)17-7-9-20-18(12-17)23(27)24(25(32-20)36-4)37-14-22-28-10-5-11-29-22/h5-13,35H,14H2,1-4H3.
What are the key properties of [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
[4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 517.98 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-(pyrimidin-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 118022680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).