8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H20N2O — CID 12629907

IUPAC8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2-c2ccccc2)CCN(C)C1
InChIInChI=1S/C19H20N2O/c1-20-11-10-19-17(13-20)16-12-15(22-2)8-9-18(16)21(19)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyKQDURNOGYJLDMT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds2

About 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole

8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 12629907) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID12629907
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2-c2ccccc2)CCN(C)C1
InChIInChI=1S/C19H20N2O/c1-20-11-10-19-17(13-20)16-12-15(22-2)8-9-18(16)21(19)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyKQDURNOGYJLDMT-UHFFFAOYSA-N
XLogP3.63
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 44613059
8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 44612929
5-(2,6-dimethyl-4-pyridinyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 53371847
7-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
CID 604586
5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67311953
8-fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46225027
2,8-dimethyl-5-[3-(4-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 53371848
2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418165
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
CID 58454912
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
8-methoxy-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 154694313

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 12629907) is 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc2c(c1)c1c(n2-c2ccccc2)CCN(C)C1.
What is the InChIKey of 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is KQDURNOGYJLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20-11-10-19-17(13-20)16-12-15(22-2)8-9-18(16)21(19)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 292.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-5-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 12629907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).