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

C23H26N2O2 — CID 155531801

IUPAC5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCOc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)cc4)CC3)c2c1
InChIInChI=1S/C23H26N2O2/c1-3-27-20-8-9-23-21(14-20)22(15-24-23)18-10-12-25(13-11-18)16-17-4-6-19(26-2)7-5-17/h4-10,14-15,24H,3,11-13,16H2,1-2H3
InChIKeyQNKSLKGYJQJCTC-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.86
Rot. Bonds6

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

5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 155531801) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID155531801
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCOc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)cc4)CC3)c2c1
InChIInChI=1S/C23H26N2O2/c1-3-27-20-8-9-23-21(14-20)22(15-24-23)18-10-12-25(13-11-18)16-17-4-6-19(26-2)7-5-17/h4-10,14-15,24H,3,11-13,16H2,1-2H3
InChIKeyQNKSLKGYJQJCTC-UHFFFAOYSA-N
XLogP4.86
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 155531801) is 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CCOc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)cc4)CC3)c2c1.
What is the InChIKey of 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is QNKSLKGYJQJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-27-20-8-9-23-21(14-20)22(15-24-23)18-10-12-25(13-11-18)16-17-4-6-19(26-2)7-5-17/h4-10,14-15,24H,3,11-13,16H2,1-2H3.
What are the key properties of 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 362.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 155531801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).