5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C22H24N2O2 — CID 155521049

IUPAC5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-18-5-3-16(4-6-18)15-24-11-9-17(10-12-24)21-14-23-22-8-7-19(26-2)13-20(21)22/h3-9,13-14,23H,10-12,15H2,1-2H3
InChIKeyCXNXVMOAPQHKNR-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.47
Rot. Bonds5

About 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 155521049) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID155521049
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-18-5-3-16(4-6-18)15-24-11-9-17(10-12-24)21-14-23-22-8-7-19(26-2)13-20(21)22/h3-9,13-14,23H,10-12,15H2,1-2H3
InChIKeyCXNXVMOAPQHKNR-UHFFFAOYSA-N
XLogP4.47
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 155521049) is 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1ccc(CN2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1.
What is the InChIKey of 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is CXNXVMOAPQHKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-18-5-3-16(4-6-18)15-24-11-9-17(10-12-24)21-14-23-22-8-7-19(26-2)13-20(21)22/h3-9,13-14,23H,10-12,15H2,1-2H3.
What are the key properties of 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 348.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 155521049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).