8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C14H18N2O — CID 82495192

IUPAC8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCOc1ccc(C)c2c3c(n(C)c12)CNCC3
InChIInChI=1S/C14H18N2O/c1-9-4-5-12(17-3)14-13(9)10-6-7-15-8-11(10)16(14)2/h4-5,15H,6-8H2,1-3H3
InChIKeyHDLMVPCMYMSCOE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.14
Rot. Bonds1

About 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 82495192) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID82495192
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCOc1ccc(C)c2c3c(n(C)c12)CNCC3
InChIInChI=1S/C14H18N2O/c1-9-4-5-12(17-3)14-13(9)10-6-7-15-8-11(10)16(14)2/h4-5,15H,6-8H2,1-3H3
InChIKeyHDLMVPCMYMSCOE-UHFFFAOYSA-N
XLogP2.14
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82492831
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 83488134
(8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanamine
CID 84637426
6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
2-(8-methoxy-5-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 82500174
(8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742511
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
5-chloro-8-methoxy-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84743372
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
CID 11683670
6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82498212

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 82495192) is 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is COc1ccc(C)c2c3c(n(C)c12)CNCC3.
What is the InChIKey of 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is HDLMVPCMYMSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-4-5-12(17-3)14-13(9)10-6-7-15-8-11(10)16(14)2/h4-5,15H,6-8H2,1-3H3.
What are the key properties of 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 230.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 82495192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).