dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate

C19H19NO6 — CID 57342285

IUPACdimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate
SMILESCOC(=O)C(C(=O)OC)c1c2c(OC)cc(OC)cc2n2ccccc12
InChIInChI=1S/C19H19NO6/c1-23-11-9-13-15(14(10-11)24-2)16(12-7-5-6-8-20(12)13)17(18(21)25-3)19(22)26-4/h5-10,17H,1-4H3
InChIKeyAEGWWVBPPZKGKT-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.54
Rot. Bonds5

About dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate

dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate (PubChem CID 57342285) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate
PubChem CID57342285
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namedimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate
SMILESCOC(=O)C(C(=O)OC)c1c2c(OC)cc(OC)cc2n2ccccc12
InChIInChI=1S/C19H19NO6/c1-23-11-9-13-15(14(10-11)24-2)16(12-7-5-6-8-20(12)13)17(18(21)25-3)19(22)26-4/h5-10,17H,1-4H3
InChIKeyAEGWWVBPPZKGKT-UHFFFAOYSA-N
XLogP2.54
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(10-carbamoyl-1-methoxypyrido[1,2-a]indol-3-yl) cyclopropanesulfonate
CID 87097342
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
dimethyl 2-(7-bromopyrido[1,2-a]indol-10-yl)propanedioate
CID 57342750
methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60796374
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66668012
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
dimethyl 2-anthracen-9-ylpropanedioate
CID 102159611
2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
CID 139893616
methyl 2-(3-methoxyindol-1-yl)propanoate
CID 162779328

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate?
The IUPAC name of dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate (CID 57342285) is dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate.
What is the SMILES notation for dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate?
The canonical SMILES for dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate is COC(=O)C(C(=O)OC)c1c2c(OC)cc(OC)cc2n2ccccc12.
What is the InChIKey of dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate?
The InChIKey is AEGWWVBPPZKGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-23-11-9-13-15(14(10-11)24-2)16(12-7-5-6-8-20(12)13)17(18(21)25-3)19(22)26-4/h5-10,17H,1-4H3.
What are the key properties of dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate?
dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate has a molecular weight of 357.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1,3-dimethoxypyrido[1,2-a]indol-10-yl)propanedioate is sourced from PubChem (CID 57342285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).