(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone

C24H22N2O5 — CID 144807026

IUPAC(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
SMILESCOc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCO
InChIInChI=1S/C24H22N2O5/c1-30-22-12-18-14(11-23(22)31-9-8-27)10-19(25-18)24(29)26-7-6-16-15-4-2-3-5-17(15)21(28)13-20(16)26/h2-5,10-13,25,27-28H,6-9H2,1H3
InChIKeyJNIJSNBCZXCNSL-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.61
Rot. Bonds5

About (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone

(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone (PubChem CID 144807026) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
PubChem CID144807026
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
SMILESCOc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCO
InChIInChI=1S/C24H22N2O5/c1-30-22-12-18-14(11-23(22)31-9-8-27)10-19(25-18)24(29)26-7-6-16-15-4-2-3-5-17(15)21(28)13-20(16)26/h2-5,10-13,25,27-28H,6-9H2,1H3
InChIKeyJNIJSNBCZXCNSL-UHFFFAOYSA-N
XLogP3.61
TPSA95.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]methanone
CID 144806949
[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine
CID 144895313
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
CID 71170206
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone
CID 138457795
methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
CID 142095448
1-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-6-methoxy-1H-indol-5-yl]oxy]ethyl]-4-ethyl-N-formylpiperidine-4-carboxamide
CID 144806959
[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 167896070
[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone
CID 134275541
[1-(chloromethyl)-7-[8-[2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-6-methoxy-1H-indol-5-yl]oxy]ethyl]-2-thia-8-azaspiro[4.5]decan-3-yl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]methanone
CID 123351921
(6aS)-6-hydroxy-3-[6-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-6-oxohexoxy]-2-methoxy-5-methyl-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 145040765
[5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]ethoxy]-1H-indol-2-yl]-(5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indol-3-yl)methanone;chloromethane
CID 177228795
2-(disulfanyl)propyl 6-hydroxy-3-[6-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-6-oxohexoxy]-2-methoxy-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
CID 145040803

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone?
The IUPAC name of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone (CID 144807026) is (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone.
What is the SMILES notation for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone?
The canonical SMILES for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone is COc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCO.
What is the InChIKey of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone?
The InChIKey is JNIJSNBCZXCNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-30-22-12-18-14(11-23(22)31-9-8-27)10-19(25-18)24(29)26-7-6-16-15-4-2-3-5-17(15)21(28)13-20(16)26/h2-5,10-13,25,27-28H,6-9H2,1H3.
What are the key properties of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone?
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone has a molecular weight of 418.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 144807026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).