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

C27H28N2O3 — CID 10365278

IUPAC(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O3/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
InChIKeyDGDLOOOSQHMUGT-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.67
Rot. Bonds6

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

(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 10365278) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID10365278
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O3/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
InChIKeyDGDLOOOSQHMUGT-UHFFFAOYSA-N
XLogP4.67
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 10365278) is (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is DGDLOOOSQHMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
(4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 428.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 10365278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).