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

C20H18N2O — CID 170621370

IUPAC6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
SMILESCOc1ccc2c(c1)c1ccncc1n2Cc1ccc(C)cc1
InChIInChI=1S/C20H18N2O/c1-14-3-5-15(6-4-14)13-22-19-8-7-16(23-2)11-18(19)17-9-10-21-12-20(17)22/h3-12H,13H2,1-2H3
InChIKeyOSLMRZYZBUQREM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.55
Rot. Bonds3

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

6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole (PubChem CID 170621370) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
PubChem CID170621370
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
SMILESCOc1ccc2c(c1)c1ccncc1n2Cc1ccc(C)cc1
InChIInChI=1S/C20H18N2O/c1-14-3-5-15(6-4-14)13-22-19-8-7-16(23-2)11-18(19)17-9-10-21-12-20(17)22/h3-12H,13H2,1-2H3
InChIKeyOSLMRZYZBUQREM-UHFFFAOYSA-N
XLogP4.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
CID 134505246
S-[4-[(6-methoxypyrido[3,4-b]indol-9-yl)methyl]phenyl]thiohydroxylamine
CID 174303203
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
7-methoxy-9-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrido[3,4-b]indole
CID 90870772
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
CID 59699622
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
(4R)-5-[5-methoxy-2-methyl-1-[(4-methylphenyl)methyl]indol-3-yl]-4-methylpentan-2-one
CID 59848564

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole (CID 170621370) is 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole is COc1ccc2c(c1)c1ccncc1n2Cc1ccc(C)cc1.
What is the InChIKey of 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole?
The InChIKey is OSLMRZYZBUQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-3-5-15(6-4-14)13-22-19-8-7-16(23-2)11-18(19)17-9-10-21-12-20(17)22/h3-12H,13H2,1-2H3.
What are the key properties of 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole?
6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole has a molecular weight of 302.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole is sourced from PubChem (CID 170621370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).