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

C20H24ClN3O2 — CID 118022529

IUPAC[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C20H24ClN3O2/c1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)4/h6-7,9-11,19,25H,8H2,1-5H3
InChIKeyKGHXCZARCGXCGU-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.22
Rot. Bonds5

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

[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 118022529) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol
PubChem CID118022529
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C20H24ClN3O2/c1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)4/h6-7,9-11,19,25H,8H2,1-5H3
InChIKeyKGHXCZARCGXCGU-UHFFFAOYSA-N
XLogP4.22
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 138805839
6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
CID 118022089
[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluoropropan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118023100
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol
CID 118026114
[4-chloro-2-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118022817
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide
CID 118031303
[4-chloro-3-[[5-(1,1-difluoroethyl)thiophen-2-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118012408
[4-chloro-2-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118006341
4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013611
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118006127
[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 118006659
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 118021980

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol (CID 118022529) is [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol is COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C.
What is the InChIKey of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol?
The InChIKey is KGHXCZARCGXCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)4/h6-7,9-11,19,25H,8H2,1-5H3.
What are the key properties of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol?
[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 373.88 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 118022529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).