4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile

C26H23N3O2 — CID 11742248

IUPAC4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H23N3O2/c27-17-19-9-10-23(21-6-2-1-5-20(19)21)26(30)24-18-29(25-8-4-3-7-22(24)25)12-11-28-13-15-31-16-14-28/h1-10,18H,11-16H2
InChIKeyFFFAVVFHLJSPNS-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.23
Rot. Bonds5

About 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile

4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile (PubChem CID 11742248) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
PubChem CID11742248
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H23N3O2/c27-17-19-9-10-23(21-6-2-1-5-20(19)21)26(30)24-18-29(25-8-4-3-7-22(24)25)12-11-28-13-15-31-16-14-28/h1-10,18H,11-16H2
InChIKeyFFFAVVFHLJSPNS-UHFFFAOYSA-N
XLogP4.23
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile (CID 11742248) is 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile is N#Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
The InChIKey is FFFAVVFHLJSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c27-17-19-9-10-23(21-6-2-1-5-20(19)21)26(30)24-18-29(25-8-4-3-7-22(24)25)12-11-28-13-15-31-16-14-28/h1-10,18H,11-16H2.
What are the key properties of 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile has a molecular weight of 409.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 11742248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).