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

C25H28ClN5O2 — CID 118022286

IUPAC[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3
InChIKeyYZGYTZFPJVGJER-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.52
Rot. Bonds6

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

[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 118022286) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
PubChem CID118022286
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3
InChIKeyYZGYTZFPJVGJER-UHFFFAOYSA-N
XLogP4.52
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 118022286) is [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C.
What is the InChIKey of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is YZGYTZFPJVGJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3.
What are the key properties of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 465.99 g/mol, XLogP of 4.52, 6 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-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 118022286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).