2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate

C24H31Cl2N3O6 — CID 15044885

IUPAC2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate
SMILESO=C(CCc1c(C(=O)OCCN2CCOCC2)[nH]c2cc(Cl)cc(Cl)c12)OCCN1CCOCC1
InChIInChI=1S/C24H31Cl2N3O6/c25-17-15-19(26)22-18(1-2-21(30)34-13-7-28-3-9-32-10-4-28)23(27-20(22)16-17)24(31)35-14-8-29-5-11-33-12-6-29/h15-16,27H,1-14H2
InChIKeyRMHWTRDBDGRXLV-UHFFFAOYSA-N
MW528.43 g/mol
LogP2.77
Rot. Bonds10

About 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate

2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate (PubChem CID 15044885) has the molecular formula C24H31Cl2N3O6 and a molecular weight of 528.43 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate
PubChem CID15044885
Molecular FormulaC24H31Cl2N3O6
Molecular Weight528.43 g/mol
Exact Mass527.16
IUPAC Name2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate
SMILESO=C(CCc1c(C(=O)OCCN2CCOCC2)[nH]c2cc(Cl)cc(Cl)c12)OCCN1CCOCC1
InChIInChI=1S/C24H31Cl2N3O6/c25-17-15-19(26)22-18(1-2-21(30)34-13-7-28-3-9-32-10-4-28)23(27-20(22)16-17)24(31)35-14-8-29-5-11-33-12-6-29/h15-16,27H,1-14H2
InChIKeyRMHWTRDBDGRXLV-UHFFFAOYSA-N
XLogP2.77
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4,6-dichloro-2-(2-morpholin-4-ylethoxycarbonyl)-1H-indol-3-yl]-5-morpholin-4-ylpentanoic acid
CID 57248333
2-morpholin-4-ylethyl 5-chloro-3-phenyl-2H-isoindole-1-carboxylate;hydrochloride
CID 70606826
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl octanoate
CID 23118480
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-[16-[2-(4,4-dimethylpentanoyloxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl 4,4-dimethylpentanoate
CID 102070429
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 18412226
2-morpholin-4-ylethyl (Z)-hept-5-enoate
CID 143867024
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate (CID 15044885) is 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate is O=C(CCc1c(C(=O)OCCN2CCOCC2)[nH]c2cc(Cl)cc(Cl)c12)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate?
The InChIKey is RMHWTRDBDGRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3O6/c25-17-15-19(26)22-18(1-2-21(30)34-13-7-28-3-9-32-10-4-28)23(27-20(22)16-17)24(31)35-14-8-29-5-11-33-12-6-29/h15-16,27H,1-14H2.
What are the key properties of 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate?
2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate has a molecular weight of 528.43 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4,6-dichloro-3-[3-(2-morpholin-4-ylethoxy)-3-oxopropyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 15044885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).