2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole

C24H24N2O — CID 162755153

IUPAC2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
SMILESCOc1cccc2c1[nH]c1c(C)c3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C24H24N2O/c1-16-19-11-12-26(14-17-7-4-3-5-8-17)15-18(19)13-21-20-9-6-10-22(27-2)24(20)25-23(16)21/h3-10,13,25H,11-12,14-15H2,1-2H3
InChIKeySXDZGIXRRQLJGK-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.20
Rot. Bonds3

About 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole

2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole (PubChem CID 162755153) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole.

Molecular Properties

Compound Name2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
PubChem CID162755153
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
SMILESCOc1cccc2c1[nH]c1c(C)c3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C24H24N2O/c1-16-19-11-12-26(14-17-7-4-3-5-8-17)15-18(19)13-21-20-9-6-10-22(27-2)24(20)25-23(16)21/h3-10,13,25H,11-12,14-15H2,1-2H3
InChIKeySXDZGIXRRQLJGK-UHFFFAOYSA-N
XLogP5.20
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole
CID 168941512
2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 19927818
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 145042994
7-benzyl-2-(methoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135997459

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole?
The IUPAC name of 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole (CID 162755153) is 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole.
What is the SMILES notation for 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole?
The canonical SMILES for 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole is COc1cccc2c1[nH]c1c(C)c3c(cc12)CN(Cc1ccccc1)CC3.
What is the InChIKey of 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole?
The InChIKey is SXDZGIXRRQLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-16-19-11-12-26(14-17-7-4-3-5-8-17)15-18(19)13-21-20-9-6-10-22(27-2)24(20)25-23(16)21/h3-10,13,25H,11-12,14-15H2,1-2H3.
What are the key properties of 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole?
2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole has a molecular weight of 356.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole is sourced from PubChem (CID 162755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).