(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol

C20H20ClN5O2S — CID 118022530

IUPAC(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C
InChIInChI=1S/C20H20ClN5O2S/c1-10-17(21)14-8-13(6-7-15(14)24-19(10)28-5)20(27,16-9-22-25-26(16)4)18-11(2)23-12(3)29-18/h6-9,27H,1-5H3
InChIKeyQHVLAKJNWQJMLZ-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.69
Rot. Bonds4

About (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol

(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 118022530) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID118022530
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC Name(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C
InChIInChI=1S/C20H20ClN5O2S/c1-10-17(21)14-8-13(6-7-15(14)24-19(10)28-5)20(27,16-9-22-25-26(16)4)18-11(2)23-12(3)29-18/h6-9,27H,1-5H3
InChIKeyQHVLAKJNWQJMLZ-UHFFFAOYSA-N
XLogP3.69
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
[4-Chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
CID 118022257
US10201546, Example 136a
CID 118023050
(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-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol
CID 118005933
[4-Chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
CID 118021661
[4-Chloro-3-[(1,1-dioxothian-4-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118022242
[4-Chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118022267
US10201546, Example 133a
CID 118022286
US10201546, Example 103a
CID 118022368
[4-Chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 118022549

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol (CID 118022530) is (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C.
What is the InChIKey of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is QHVLAKJNWQJMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-10-17(21)14-8-13(6-7-15(14)24-19(10)28-5)20(27,16-9-22-25-26(16)4)18-11(2)23-12(3)29-18/h6-9,27H,1-5H3.
What are the key properties of (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?
(4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 429.93 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxy-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 118022530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).