3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole

C21H22N2O — CID 168941512

IUPAC3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole
SMILESCOc1cccc2c(C3=CCCN(Cc4ccccc4)C3)c[nH]c12
InChIInChI=1S/C21H22N2O/c1-24-20-11-5-10-18-19(13-22-21(18)20)17-9-6-12-23(15-17)14-16-7-3-2-4-8-16/h2-5,7-11,13,22H,6,12,14-15H2,1H3
InChIKeyCPUXTBGUBNKLOH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.47
Rot. Bonds4

About 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole

3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole (PubChem CID 168941512) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole.

Molecular Properties

Compound Name3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole
PubChem CID168941512
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole
SMILESCOc1cccc2c(C3=CCCN(Cc4ccccc4)C3)c[nH]c12
InChIInChI=1S/C21H22N2O/c1-24-20-11-5-10-18-19(13-22-21(18)20)17-9-6-12-23(15-17)14-16-7-3-2-4-8-16/h2-5,7-11,13,22H,6,12,14-15H2,1H3
InChIKeyCPUXTBGUBNKLOH-UHFFFAOYSA-N
XLogP4.47
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole
CID 168941755
7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 123359922
1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-5,6-dimethoxyindol-1-yl]-3,3-dimethylpent-4-yn-1-one
CID 11059524
2-benzyl-7-methoxy-5-methyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
CID 162755153
2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol
CID 166373046
1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 165495433
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 19095580
4-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-bromoethyl)isochromen-1-one;hydrobromide
CID 118131425
2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline
CID 118449001
7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
CID 168941786
1-(4-benzylpiperidin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 56925383

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole?
The IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole (CID 168941512) is 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole.
What is the SMILES notation for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole?
The canonical SMILES for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole is COc1cccc2c(C3=CCCN(Cc4ccccc4)C3)c[nH]c12.
What is the InChIKey of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole?
The InChIKey is CPUXTBGUBNKLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-24-20-11-5-10-18-19(13-22-21(18)20)17-9-6-12-23(15-17)14-16-7-3-2-4-8-16/h2-5,7-11,13,22H,6,12,14-15H2,1H3.
What are the key properties of 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole?
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole has a molecular weight of 318.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole is sourced from PubChem (CID 168941512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).