[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol

C22H25NO5 — CID 22097659

IUPAC[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol
SMILESCCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1CO
InChIInChI=1S/C22H25NO5/c1-6-16-15(12-24)22(13-7-8-18(25-2)19(9-13)26-3)14-10-20(27-4)21(28-5)11-17(14)23-16/h7-11,24H,6,12H2,1-5H3
InChIKeyYMVHTYVZPSFZKP-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.99
Rot. Bonds7

About [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol

[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol (PubChem CID 22097659) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol
PubChem CID22097659
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol
SMILESCCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1CO
InChIInChI=1S/C22H25NO5/c1-6-16-15(12-24)22(13-7-8-18(25-2)19(9-13)26-3)14-10-20(27-4)21(28-5)11-17(14)23-16/h7-11,24H,6,12H2,1-5H3
InChIKeyYMVHTYVZPSFZKP-UHFFFAOYSA-N
XLogP3.99
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
CID 22097630
1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinolin-3-yl]pentan-1-one
CID 19039881
ethyl 2-(2-bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
CID 11799673
ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxyquinoline-3-carboxylate
CID 10719290
[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethyl]quinolin-3-yl] ethyl carbonate
CID 23214025
butyl 4-(3,4-dimethoxyphenyl)-2-(imidazol-1-ylmethyl)-6,7-dimethoxyquinoline-3-carboxylate
CID 22097656
4-(3,4-dimethoxyphenyl)-3-(3-ethoxydioxiran-3-yl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline
CID 56983186
ethyl 6,7-dimethoxy-4-(3-methoxy-4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-4-ylmethyl)quinoline-3-carboxylate
CID 22097591
[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
CID 174274371
methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate
CID 21224072
[3-(3,4-dimethoxyphenyl)-2-pyridinyl]methanol
CID 54504327
ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
CID 135430367

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol (CID 22097659) is [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol is CCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1CO.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol?
The InChIKey is YMVHTYVZPSFZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-6-16-15(12-24)22(13-7-8-18(25-2)19(9-13)26-3)14-10-20(27-4)21(28-5)11-17(14)23-16/h7-11,24H,6,12H2,1-5H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol?
[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol has a molecular weight of 383.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol is sourced from PubChem (CID 22097659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).