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

C27H28N2O2 — CID 10093111

IUPAC[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O2/c1-19-11-12-23(22-8-4-3-7-21(19)22)27(30)26-20(2)29(25-10-6-5-9-24(25)26)14-13-28-15-17-31-18-16-28/h3-12H,13-18H2,1-2H3
InChIKeyNXVIFTFINAMVFH-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.97
Rot. Bonds5

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

[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (PubChem CID 10093111) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
PubChem CID10093111
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O2/c1-19-11-12-23(22-8-4-3-7-21(19)22)27(30)26-20(2)29(25-10-6-5-9-24(25)26)14-13-28-15-17-31-18-16-28/h3-12H,13-18H2,1-2H3
InChIKeyNXVIFTFINAMVFH-UHFFFAOYSA-N
XLogP4.97
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (CID 10093111) is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is NXVIFTFINAMVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19-11-12-23(22-8-4-3-7-21(19)22)27(30)26-20(2)29(25-10-6-5-9-24(25)26)14-13-28-15-17-31-18-16-28/h3-12H,13-18H2,1-2H3.
What are the key properties of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 412.53 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 10093111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).