8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline

C15H17NO2 — CID 15402109

IUPAC8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
SMILESCOc1cc2ccc3c(c2cc1OC)NCCC3
InChIInChI=1S/C15H17NO2/c1-17-13-8-11-6-5-10-4-3-7-16-15(10)12(11)9-14(13)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyAUGWFPMWTVNVNH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.22
Rot. Bonds2

About 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline

8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline (PubChem CID 15402109) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
PubChem CID15402109
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
SMILESCOc1cc2ccc3c(c2cc1OC)NCCC3
InChIInChI=1S/C15H17NO2/c1-17-13-8-11-6-5-10-4-3-7-16-15(10)12(11)9-14(13)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyAUGWFPMWTVNVNH-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
CID 84656610
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
1-methylpiperazine;2,3,6,7-tetramethoxyphenanthrene
CID 174826855
9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline
CID 129308037
9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline
CID 122234830
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636
6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid
CID 96611218
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 119053876
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
7-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106781897

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline?
The IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline (CID 15402109) is 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline.
What is the SMILES notation for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline?
The canonical SMILES for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline is COc1cc2ccc3c(c2cc1OC)NCCC3.
What is the InChIKey of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline?
The InChIKey is AUGWFPMWTVNVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-13-8-11-6-5-10-4-3-7-16-15(10)12(11)9-14(13)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline?
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline has a molecular weight of 243.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline is sourced from PubChem (CID 15402109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).