1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone

C25H26N2O3 — CID 2999346

IUPAC1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone
SMILESO=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C25H26N2O3/c28-25(27-12-11-20-6-2-4-8-23(20)27)18-30-24-10-9-19-5-1-3-7-21(19)22(24)17-26-13-15-29-16-14-26/h1-10H,11-18H2
InChIKeyKVDBTBJQFSNUSX-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone

1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone (PubChem CID 2999346) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone
PubChem CID2999346
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone
SMILESO=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C25H26N2O3/c28-25(27-12-11-20-6-2-4-8-23(20)27)18-30-24-10-9-19-5-1-3-7-21(19)22(24)17-26-13-15-29-16-14-26/h1-10H,11-18H2
InChIKeyKVDBTBJQFSNUSX-UHFFFAOYSA-N
XLogP3.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
CID 9955819
2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
CID 10672840
2-[4-[2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxyacetyl]piperazin-1-yl]benzonitrile
CID 10838063
4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-yl)-ethoxy]phenyl}pyridin-2(1H)-one
CID 53317307
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(naphthalen-1-yloxy)-ethanone
CID 1112978
1-[4-[(2-Methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 71461632
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
N-ethyl-2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 9266687
2-(Naphthalen-1-yloxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 685759
2-(Naphthalen-2-yloxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 875122
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(naphthalen-1-yloxy)acetamide
CID 1086060
N-[4-(4-Methyl-piperazin-1-yl)-phenyl]-2-(naphthalen-2-yloxy)-acetamide
CID 1086061

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone (CID 2999346) is 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone is O=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone?
The InChIKey is KVDBTBJQFSNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-25(27-12-11-20-6-2-4-8-23(20)27)18-30-24-10-9-19-5-1-3-7-21(19)22(24)17-26-13-15-29-16-14-26/h1-10H,11-18H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone?
1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone has a molecular weight of 402.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone is sourced from PubChem (CID 2999346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).