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

C16H22N2O — CID 84742504

IUPAC6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCOc1cc(C)c2c(c1)c1c(n2C)CNC(C)(C)C1
InChIInChI=1S/C16H22N2O/c1-10-6-11(19-5)7-12-13-8-16(2,3)17-9-14(13)18(4)15(10)12/h6-7,17H,8-9H2,1-5H3
InChIKeyUYKLZFKCNAXUKC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.92
Rot. Bonds1

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

6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 84742504) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID84742504
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCOc1cc(C)c2c(c1)c1c(n2C)CNC(C)(C)C1
InChIInChI=1S/C16H22N2O/c1-10-6-11(19-5)7-12-13-8-16(2,3)17-9-14(13)18(4)15(10)12/h6-7,17H,8-9H2,1-5H3
InChIKeyUYKLZFKCNAXUKC-UHFFFAOYSA-N
XLogP2.92
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84741409
6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82498212
(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine
CID 84741800
3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 96679696
2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine
CID 84632481
10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 84645206
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84631512
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
1-(5-methoxy-1,7-dimethylindol-2-yl)-N-methylmethanamine
CID 84622943
8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
CID 84743131

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (CID 84742504) is 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is COc1cc(C)c2c(c1)c1c(n2C)CNC(C)(C)C1.
What is the InChIKey of 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is UYKLZFKCNAXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-6-11(19-5)7-12-13-8-16(2,3)17-9-14(13)18(4)15(10)12/h6-7,17H,8-9H2,1-5H3.
What are the key properties of 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 258.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 84742504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).