[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol

C20H20ClNO3 — CID 169410865

IUPAC[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol
SMILESCOc1cc(Cl)c(-c2cc(C)c3ccc(CO)c(C)c3n2)cc1OC
InChIInChI=1S/C20H20ClNO3/c1-11-7-17(15-8-18(24-3)19(25-4)9-16(15)21)22-20-12(2)13(10-23)5-6-14(11)20/h5-9,23H,10H2,1-4H3
InChIKeyKTTLJCYQVBSJLX-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.68
Rot. Bonds4

About [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol

[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol (PubChem CID 169410865) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol.

Molecular Properties

Compound Name[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol
PubChem CID169410865
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol
SMILESCOc1cc(Cl)c(-c2cc(C)c3ccc(CO)c(C)c3n2)cc1OC
InChIInChI=1S/C20H20ClNO3/c1-11-7-17(15-8-18(24-3)19(25-4)9-16(15)21)22-20-12(2)13(10-23)5-6-14(11)20/h5-9,23H,10H2,1-4H3
InChIKeyKTTLJCYQVBSJLX-UHFFFAOYSA-N
XLogP4.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol
CID 169420711
[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol
CID 170505269
3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole
CID 175903658
2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol
CID 169419996
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
2-methoxy-6-(4-methyl-8-propan-2-yloxyquinolin-2-yl)phenol
CID 169410777
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-1,3-thiazol-4-amine
CID 143844698
4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline
CID 68948775
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
[4-(2-chloro-4-methoxyphenyl)-2-methylphenyl]methanol
CID 70235094
3-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-6-methyl-2H-isoquinolin-1-one
CID 44574383
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol?
The IUPAC name of [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol (CID 169410865) is [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol.
What is the SMILES notation for [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol?
The canonical SMILES for [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol is COc1cc(Cl)c(-c2cc(C)c3ccc(CO)c(C)c3n2)cc1OC.
What is the InChIKey of [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol?
The InChIKey is KTTLJCYQVBSJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-11-7-17(15-8-18(24-3)19(25-4)9-16(15)21)22-20-12(2)13(10-23)5-6-14(11)20/h5-9,23H,10H2,1-4H3.
What are the key properties of [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol?
[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol has a molecular weight of 357.84 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol is sourced from PubChem (CID 169410865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).