7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline

C17H19NO2 — CID 81224481

IUPAC7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(-c2ccc3c(c2)NCCC3)cc1OC
InChIInChI=1S/C17H19NO2/c1-19-16-8-7-14(11-17(16)20-2)13-6-5-12-4-3-9-18-15(12)10-13/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyHGVWTCSSVBKDHJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.73
Rot. Bonds3

About 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline

7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224481) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224481
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(-c2ccc3c(c2)NCCC3)cc1OC
InChIInChI=1S/C17H19NO2/c1-19-16-8-7-14(11-17(16)20-2)13-6-5-12-4-3-9-18-15(12)10-13/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyHGVWTCSSVBKDHJ-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224324
7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636
7-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106781897
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
7-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 81230530
6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698533
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
CID 23078397
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
CID 15402109
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698516

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 81224481) is 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline is COc1ccc(-c2ccc3c(c2)NCCC3)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HGVWTCSSVBKDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-16-8-7-14(11-17(16)20-2)13-6-5-12-4-3-9-18-15(12)10-13/h5-8,10-11,18H,3-4,9H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline?
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 269.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).