methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate

C24H24N4O3 — CID 70664831

IUPACmethyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate
SMILESCOC[C@H]1CCCN1c1nc2cc(C(=O)OC)ccc2nc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H24N4O3/c1-30-14-18-4-3-11-28(18)23-22(16-5-7-19-15(12-16)9-10-25-19)26-20-8-6-17(24(29)31-2)13-21(20)27-23/h5-10,12-13,18,25H,3-4,11,14H2,1-2H3/t18-/m1/s1
InChIKeyOBCAGPDNAKHLAE-GOSISDBHSA-N
MW416.48 g/mol
LogP4.18
Rot. Bonds5

About methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate

methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate (PubChem CID 70664831) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate
PubChem CID70664831
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Namemethyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate
SMILESCOC[C@H]1CCCN1c1nc2cc(C(=O)OC)ccc2nc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H24N4O3/c1-30-14-18-4-3-11-28(18)23-22(16-5-7-19-15(12-16)9-10-25-19)26-20-8-6-17(24(29)31-2)13-21(20)27-23/h5-10,12-13,18,25H,3-4,11,14H2,1-2H3/t18-/m1/s1
InChIKeyOBCAGPDNAKHLAE-GOSISDBHSA-N
XLogP4.18
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate (CID 70664831) is methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate is COC[C@H]1CCCN1c1nc2cc(C(=O)OC)ccc2nc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate?
The InChIKey is OBCAGPDNAKHLAE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-14-18-4-3-11-28(18)23-22(16-5-7-19-15(12-16)9-10-25-19)26-20-8-6-17(24(29)31-2)13-21(20)27-23/h5-10,12-13,18,25H,3-4,11,14H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate?
methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-5-yl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylate is sourced from PubChem (CID 70664831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).