8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole

C30H32N2O2S — CID 59448249

IUPAC8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(OCCN3CCCCC3)cc2)-c2ccccc2CS1
InChIInChI=1S/C30H32N2O2S/c1-33-25-13-14-28-27(19-25)30-29(26-8-4-3-7-23(26)21-35-30)32(28)20-22-9-11-24(12-10-22)34-18-17-31-15-5-2-6-16-31/h3-4,7-14,19H,2,5-6,15-18,20-21H2,1H3
InChIKeySJYLJCMQBSTKHM-UHFFFAOYSA-N
MW484.67 g/mol
LogP6.84
Rot. Bonds7

About 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole

8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole (PubChem CID 59448249) has the molecular formula C30H32N2O2S and a molecular weight of 484.67 g/mol. Its IUPAC name is 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole
PubChem CID59448249
Molecular FormulaC30H32N2O2S
Molecular Weight484.67 g/mol
Exact Mass484.22
IUPAC Name8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(OCCN3CCCCC3)cc2)-c2ccccc2CS1
InChIInChI=1S/C30H32N2O2S/c1-33-25-13-14-28-27(19-25)30-29(26-8-4-3-7-23(26)21-35-30)32(28)20-22-9-11-24(12-10-22)34-18-17-31-15-5-2-6-16-31/h3-4,7-14,19H,2,5-6,15-18,20-21H2,1H3
InChIKeySJYLJCMQBSTKHM-UHFFFAOYSA-N
XLogP6.84
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole with MolForge

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Related Compounds

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CID 10302204
11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
CID 57233587
2-(2,4-dimethoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10207216
5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol
CID 18784024
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)phenyl]-3-methylindole
CID 153406432
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;(Z)-but-2-enedioic acid
CID 71502610
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole?
The IUPAC name of 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole (CID 59448249) is 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole.
What is the SMILES notation for 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole?
The canonical SMILES for 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole is COc1ccc2c(c1)c1c(n2Cc2ccc(OCCN3CCCCC3)cc2)-c2ccccc2CS1.
What is the InChIKey of 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole?
The InChIKey is SJYLJCMQBSTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2S/c1-33-25-13-14-28-27(19-25)30-29(26-8-4-3-7-23(26)21-35-30)32(28)20-22-9-11-24(12-10-22)34-18-17-31-15-5-2-6-16-31/h3-4,7-14,19H,2,5-6,15-18,20-21H2,1H3.
What are the key properties of 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole?
8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole has a molecular weight of 484.67 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole is sourced from PubChem (CID 59448249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).