4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride

C18H18ClNO4 — CID 136527491

IUPAC4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride
SMILESCOc1cc2nc(-c3ccc(O)cc3O)cc(C)c2cc1OC.Cl
InChIInChI=1S/C18H17NO4.ClH/c1-10-6-14(12-5-4-11(20)7-16(12)21)19-15-9-18(23-3)17(22-2)8-13(10)15;/h4-9,20-21H,1-3H3;1H
InChIKeyHOPLRCMCYZJMCT-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.06
Rot. Bonds3

About 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride

4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride (PubChem CID 136527491) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride
PubChem CID136527491
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride
SMILESCOc1cc2nc(-c3ccc(O)cc3O)cc(C)c2cc1OC.Cl
InChIInChI=1S/C18H17NO4.ClH/c1-10-6-14(12-5-4-11(20)7-16(12)21)19-15-9-18(23-3)17(22-2)8-13(10)15;/h4-9,20-21H,1-3H3;1H
InChIKeyHOPLRCMCYZJMCT-UHFFFAOYSA-N
XLogP4.06
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dimethoxy-4-methylquinolin-2-yl)-6-methoxyphenol
CID 169417890
N-[2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]acetamide
CID 169416469
2-(2-hydroxy-5-methoxyphenyl)-6-methoxy-4-methylquinolin-7-ol
CID 169413526
N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
CID 169414234
2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 169417094
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237
2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
CID 169418540
1-(6,7-dimethoxy-4-methylquinolin-2-yl)ethanol
CID 82576000
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide
CID 169413461
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propan-1-ol
CID 70764320
6,7-dimethoxy-N,N,4-trimethylquinolin-2-amine
CID 135106538

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride (CID 136527491) is 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride is COc1cc2nc(-c3ccc(O)cc3O)cc(C)c2cc1OC.Cl.
What is the InChIKey of 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride?
The InChIKey is HOPLRCMCYZJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.ClH/c1-10-6-14(12-5-4-11(20)7-16(12)21)19-15-9-18(23-3)17(22-2)8-13(10)15;/h4-9,20-21H,1-3H3;1H.
What are the key properties of 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride?
4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride has a molecular weight of 347.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-methylquinolin-2-yl)benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 136527491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).