6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole

C20H18N2O2 — CID 134505246

IUPAC6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
SMILESCOc1cccc(Cn2c3ccc(OC)cc3c3ccncc32)c1
InChIInChI=1S/C20H18N2O2/c1-23-15-5-3-4-14(10-15)13-22-19-7-6-16(24-2)11-18(19)17-8-9-21-12-20(17)22/h3-12H,13H2,1-2H3
InChIKeyADADCFYFEDAHEJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.26
Rot. Bonds4

About 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole

6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole (PubChem CID 134505246) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
PubChem CID134505246
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
SMILESCOc1cccc(Cn2c3ccc(OC)cc3c3ccncc32)c1
InChIInChI=1S/C20H18N2O2/c1-23-15-5-3-4-14(10-15)13-22-19-7-6-16(24-2)11-18(19)17-8-9-21-12-20(17)22/h3-12H,13H2,1-2H3
InChIKeyADADCFYFEDAHEJ-UHFFFAOYSA-N
XLogP4.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
CID 170621370
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
S-[4-[(6-methoxypyrido[3,4-b]indol-9-yl)methyl]phenyl]thiohydroxylamine
CID 174303203
9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321511
7-methoxy-9-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrido[3,4-b]indole
CID 90870772
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
(2S)-2-[3-[[3-(4-methoxybenzoyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]methyl]phenoxy]propanoic acid
CID 25166141

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole (CID 134505246) is 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole is COc1cccc(Cn2c3ccc(OC)cc3c3ccncc32)c1.
What is the InChIKey of 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole?
The InChIKey is ADADCFYFEDAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-23-15-5-3-4-14(10-15)13-22-19-7-6-16(24-2)11-18(19)17-8-9-21-12-20(17)22/h3-12H,13H2,1-2H3.
What are the key properties of 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole?
6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole has a molecular weight of 318.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole is sourced from PubChem (CID 134505246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).