methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate

C23H19N3O5 — CID 142095448

IUPACmethyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
SMILESCOC(=O)c1cnc2c(O)cc3c(c2c1)CCN3C(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C23H19N3O5/c1-30-14-3-4-17-12(7-14)9-18(25-17)22(28)26-6-5-15-16-8-13(23(29)31-2)11-24-21(16)20(27)10-19(15)26/h3-4,7-11,25,27H,5-6H2,1-2H3
InChIKeyLYZKQBGHQJKIKM-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.42
Rot. Bonds3

About methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate

methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate (PubChem CID 142095448) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
PubChem CID142095448
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Namemethyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
SMILESCOC(=O)c1cnc2c(O)cc3c(c2c1)CCN3C(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C23H19N3O5/c1-30-14-3-4-17-12(7-14)9-18(25-17)22(28)26-6-5-15-16-8-13(23(29)31-2)11-24-21(16)20(27)10-19(15)26/h3-4,7-11,25,27H,5-6H2,1-2H3
InChIKeyLYZKQBGHQJKIKM-UHFFFAOYSA-N
XLogP3.42
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate with MolForge

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Related Compounds

(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
CID 71170206
methanamine;methyl 7-[4-[2-[formyl(methyl)amino]ethyl]-1H-indole-2-carbonyl]-5-hydroxy-9,10-dihydro-8H-4,7-phenanthroline-2-carboxylate;propane
CID 142095451
[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
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
CID 144807026
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
[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-[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
methyl 6-[6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 10483430
(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
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
[(1S)-1-(1-chloroethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(methylamino)ethoxy]-1H-indol-2-yl]methanone
CID 130351601
methyl 2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
CID 71243427

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate?
The IUPAC name of methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate (CID 142095448) is methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate?
The canonical SMILES for methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate is COC(=O)c1cnc2c(O)cc3c(c2c1)CCN3C(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate?
The InChIKey is LYZKQBGHQJKIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-30-14-3-4-17-12(7-14)9-18(25-17)22(28)26-6-5-15-16-8-13(23(29)31-2)11-24-21(16)20(27)10-19(15)26/h3-4,7-11,25,27H,5-6H2,1-2H3.
What are the key properties of methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate?
methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate is sourced from PubChem (CID 142095448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).