4,7-dimethoxy-1,2,3,4-tetrahydroquinoline

C11H15NO2 — CID 82275550

IUPAC4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1)NCCC2OC
InChIInChI=1S/C11H15NO2/c1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyQNQLZNMNCBHQOU-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.20
Rot. Bonds2

About 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline

4,7-dimethoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 82275550) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
PubChem CID82275550
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1)NCCC2OC
InChIInChI=1S/C11H15NO2/c1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyQNQLZNMNCBHQOU-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496
4,7-dimethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 71032679
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 105472992
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11413082
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline (CID 82275550) is 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline is COc1ccc2c(c1)NCCC2OC.
What is the InChIKey of 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is QNQLZNMNCBHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2/h3-4,7,11-12H,5-6H2,1-2H3.
What are the key properties of 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline?
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 193.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82275550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).