[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone

C27H28N4O5 — CID 134275541

IUPAC[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone
SMILESCCCOc1ccc2[nH]c(C(=O)N3CCc4c3cc(O)c3[nH]c(C(=O)N5CCOCC5)cc43)cc2c1
InChIInChI=1S/C27H28N4O5/c1-2-9-36-17-3-4-20-16(12-17)13-21(28-20)27(34)31-6-5-18-19-14-22(26(33)30-7-10-35-11-8-30)29-25(19)24(32)15-23(18)31/h3-4,12-15,28-29,32H,2,5-11H2,1H3
InChIKeyFPHKQWXRJLHODP-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.82
Rot. Bonds5

About [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone

[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone (PubChem CID 134275541) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone
PubChem CID134275541
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone
SMILESCCCOc1ccc2[nH]c(C(=O)N3CCc4c3cc(O)c3[nH]c(C(=O)N5CCOCC5)cc43)cc2c1
InChIInChI=1S/C27H28N4O5/c1-2-9-36-17-3-4-20-16(12-17)13-21(28-20)27(34)31-6-5-18-19-14-22(26(33)30-7-10-35-11-8-30)29-25(19)24(32)15-23(18)31/h3-4,12-15,28-29,32H,2,5-11H2,1H3
InChIKeyFPHKQWXRJLHODP-UHFFFAOYSA-N
XLogP3.82
TPSA110.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

4-hydroxy-N-[2-[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]benzamide
CID 166852713
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
CID 71170206
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
CID 142095448
morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
CID 69282983
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
[5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
CID 71233763
[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
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
CID 144807026
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 69282953

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone?
The IUPAC name of [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) is [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone is CCCOc1ccc2[nH]c(C(=O)N3CCc4c3cc(O)c3[nH]c(C(=O)N5CCOCC5)cc43)cc2c1.
What is the InChIKey of [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone?
The InChIKey is FPHKQWXRJLHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-2-9-36-17-3-4-20-16(12-17)13-21(28-20)27(34)31-6-5-18-19-14-22(26(33)30-7-10-35-11-8-30)29-25(19)24(32)15-23(18)31/h3-4,12-15,28-29,32H,2,5-11H2,1H3.
What are the key properties of [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone?
[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone has a molecular weight of 488.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 134275541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).