4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine

C26H26ClN3O2 — CID 70112590

IUPAC4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine
SMILESCOc1cccc(-c2cncc(-c3c(CCN4CCOCC4)[nH]c4cc(Cl)ccc34)c2)c1
InChIInChI=1S/C26H26ClN3O2/c1-31-22-4-2-3-18(14-22)19-13-20(17-28-16-19)26-23-6-5-21(27)15-25(23)29-24(26)7-8-30-9-11-32-12-10-30/h2-6,13-17,29H,7-12H2,1H3
InChIKeyQGMKPJUZMUAJET-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.43
Rot. Bonds6

About 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine

4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine (PubChem CID 70112590) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine
PubChem CID70112590
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine
SMILESCOc1cccc(-c2cncc(-c3c(CCN4CCOCC4)[nH]c4cc(Cl)ccc34)c2)c1
InChIInChI=1S/C26H26ClN3O2/c1-31-22-4-2-3-18(14-22)19-13-20(17-28-16-19)26-23-6-5-21(27)15-25(23)29-24(26)7-8-30-9-11-32-12-10-30/h2-6,13-17,29H,7-12H2,1H3
InChIKeyQGMKPJUZMUAJET-UHFFFAOYSA-N
XLogP5.43
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine (CID 70112590) is 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine is COc1cccc(-c2cncc(-c3c(CCN4CCOCC4)[nH]c4cc(Cl)ccc34)c2)c1.
What is the InChIKey of 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine?
The InChIKey is QGMKPJUZMUAJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-31-22-4-2-3-18(14-22)19-13-20(17-28-16-19)26-23-6-5-21(27)15-25(23)29-24(26)7-8-30-9-11-32-12-10-30/h2-6,13-17,29H,7-12H2,1H3.
What are the key properties of 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine?
4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine has a molecular weight of 447.97 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1H-indol-2-yl]ethyl]morpholine is sourced from PubChem (CID 70112590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).