methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate

C30H23N3O5 — CID 15389261

IUPACmethyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(c3ccc4cccc(O)c4n3)c3c[nH]c4cc(C(=O)OC)ccc34)c[nH]c2c1
InChIInChI=1S/C30H23N3O5/c1-37-29(35)17-6-9-19-21(14-31-24(19)12-17)27(23-11-8-16-4-3-5-26(34)28(16)33-23)22-15-32-25-13-18(30(36)38-2)7-10-20(22)25/h3-15,27,31-32,34H,1-2H3
InChIKeyMBUZKJIWBJCWSS-UHFFFAOYSA-N
MW505.53 g/mol
LogP5.66
Rot. Bonds5

About methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate

methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate (PubChem CID 15389261) has the molecular formula C30H23N3O5 and a molecular weight of 505.53 g/mol. Its IUPAC name is methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate
PubChem CID15389261
Molecular FormulaC30H23N3O5
Molecular Weight505.53 g/mol
Exact Mass505.16
IUPAC Namemethyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(c3ccc4cccc(O)c4n3)c3c[nH]c4cc(C(=O)OC)ccc34)c[nH]c2c1
InChIInChI=1S/C30H23N3O5/c1-37-29(35)17-6-9-19-21(14-31-24(19)12-17)27(23-11-8-16-4-3-5-26(34)28(16)33-23)22-15-32-25-13-18(30(36)38-2)7-10-20(22)25/h3-15,27,31-32,34H,1-2H3
InChIKeyMBUZKJIWBJCWSS-UHFFFAOYSA-N
XLogP5.66
TPSA117.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.53
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate (CID 15389261) is methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(C(c3ccc4cccc(O)c4n3)c3c[nH]c4cc(C(=O)OC)ccc34)c[nH]c2c1.
What is the InChIKey of methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate?
The InChIKey is MBUZKJIWBJCWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O5/c1-37-29(35)17-6-9-19-21(14-31-24(19)12-17)27(23-11-8-16-4-3-5-26(34)28(16)33-23)22-15-32-25-13-18(30(36)38-2)7-10-20(22)25/h3-15,27,31-32,34H,1-2H3.
What are the key properties of methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate?
methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate has a molecular weight of 505.53 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(8-hydroxyquinolin-2-yl)-(6-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 15389261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).