3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline

C14H19NO2 — CID 102338901

IUPAC3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESC=CC1Cc2cc(OC)c(OC)cc2NC1C
InChIInChI=1S/C14H19NO2/c1-5-10-6-11-7-13(16-3)14(17-4)8-12(11)15-9(10)2/h5,7-10,15H,1,6H2,2-4H3
InChIKeySISIUUOKBDBITP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.86
Rot. Bonds3

About 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline

3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 102338901) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID102338901
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESC=CC1Cc2cc(OC)c(OC)cc2NC1C
InChIInChI=1S/C14H19NO2/c1-5-10-6-11-7-13(16-3)14(17-4)8-12(11)15-9(10)2/h5,7-10,15H,1,6H2,2-4H3
InChIKeySISIUUOKBDBITP-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
CID 141058768
ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
CID 145147315
6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 10014349
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 84694331
6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 22619823
(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;hydrochloride
CID 44665977
(2S)-5-methoxy-2-methyl-6-nitro-2,3-dihydro-1H-indole;hydrochloride
CID 67316649
(2Z)-2-(6,7-dimethoxy-3-methyl-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile
CID 68616350
6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230545
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline (CID 102338901) is 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline is C=CC1Cc2cc(OC)c(OC)cc2NC1C.
What is the InChIKey of 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SISIUUOKBDBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-10-6-11-7-13(16-3)14(17-4)8-12(11)15-9(10)2/h5,7-10,15H,1,6H2,2-4H3.
What are the key properties of 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 233.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102338901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).