8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C14H18N2O — CID 82495185

IUPAC8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1cc(C)cc2c3c([nH]c12)C(C)NCC3
InChIInChI=1S/C14H18N2O/c1-8-6-11-10-4-5-15-9(2)13(10)16-14(11)12(7-8)17-3/h6-7,9,15-16H,4-5H2,1-3H3
InChIKeyBNDIKFCBHBVFJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.69
Rot. Bonds1

About 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 82495185) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID82495185
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1cc(C)cc2c3c([nH]c12)C(C)NCC3
InChIInChI=1S/C14H18N2O/c1-8-6-11-10-4-5-15-9(2)13(10)16-14(11)12(7-8)17-3/h6-7,9,15-16H,4-5H2,1-3H3
InChIKeyBNDIKFCBHBVFJO-UHFFFAOYSA-N
XLogP2.69
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740794
8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84642052
1-(3-methoxyphenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4556741
6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3651174
4,9-dimethoxy-7-methyl-10H-[1,3]dioxolo[4,5-a]carbazole
CID 171714810
1-(3-chloro-4-methoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4678634
8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82492828
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
1-(2,5-dichlorophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4280171

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 82495185) is 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is COc1cc(C)cc2c3c([nH]c12)C(C)NCC3.
What is the InChIKey of 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is BNDIKFCBHBVFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-6-11-10-4-5-15-9(2)13(10)16-14(11)12(7-8)17-3/h6-7,9,15-16H,4-5H2,1-3H3.
What are the key properties of 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 230.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 82495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).