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

C27H28N2O2 — CID 56837830

IUPAC[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
SMILESCc1cc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc2ccccc12
InChIInChI=1S/C27H28N2O2/c1-19-17-22(18-21-7-3-4-8-23(19)21)27(30)26-20(2)29(25-10-6-5-9-24(25)26)12-11-28-13-15-31-16-14-28/h3-10,17-18H,11-16H2,1-2H3
InChIKeyPMQJOMPDHYADMV-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.97
Rot. Bonds5

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

[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone (PubChem CID 56837830) 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-2-yl)methanone.

Molecular Properties

Compound Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
PubChem CID56837830
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
SMILESCc1cc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc2ccccc12
InChIInChI=1S/C27H28N2O2/c1-19-17-22(18-21-7-3-4-8-23(19)21)27(30)26-20(2)29(25-10-6-5-9-24(25)26)12-11-28-13-15-31-16-14-28/h3-10,17-18H,11-16H2,1-2H3
InChIKeyPMQJOMPDHYADMV-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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Related Compounds

N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide
CID 15104466
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
CID 53358257
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 56838054
[3-(4-methoxybenzoyl)-1-(2-morpholin-4-ylethyl)indol-2-yl]methanesulfonic acid;hydrate
CID 139640512
(3-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
CID 53358617
3-[bis(4-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
CID 67595705
1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
CID 142227752
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
CID 19040811
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone?
The IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone (CID 56837830) is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone.
What is the SMILES notation for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone?
The canonical SMILES for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone is Cc1cc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc2ccccc12.
What is the InChIKey of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone?
The InChIKey is PMQJOMPDHYADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19-17-22(18-21-7-3-4-8-23(19)21)27(30)26-20(2)29(25-10-6-5-9-24(25)26)12-11-28-13-15-31-16-14-28/h3-10,17-18H,11-16H2,1-2H3.
What are the key properties of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone?
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-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-2-yl)methanone is sourced from PubChem (CID 56837830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).