(4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

C26H26N2O2 — CID 10250276

IUPAC(4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3
InChIKeyICKWPPYMDARCKJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.67
Rot. Bonds5

About (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

(4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 10250276) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID10250276
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3
InChIKeyICKWPPYMDARCKJ-UHFFFAOYSA-N
XLogP4.67
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 10250276) is (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is ICKWPPYMDARCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3.
What are the key properties of (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
(4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 10250276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).