methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate

C21H15N3O2 — CID 118970874

IUPACmethyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate
SMILESCOC(=O)c1c2c3ccccc3nc(-c3ccc[nH]3)c2n2ccccc12
InChIInChI=1S/C21H15N3O2/c1-26-21(25)18-16-10-4-5-12-24(16)20-17(18)13-7-2-3-8-14(13)23-19(20)15-9-6-11-22-15/h2-12,22H,1H3
InChIKeyDOFVMLZWKIBGCC-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.42
Rot. Bonds2

About methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate

methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate (PubChem CID 118970874) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate
PubChem CID118970874
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Namemethyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate
SMILESCOC(=O)c1c2c3ccccc3nc(-c3ccc[nH]3)c2n2ccccc12
InChIInChI=1S/C21H15N3O2/c1-26-21(25)18-16-10-4-5-12-24(16)20-17(18)13-7-2-3-8-14(13)23-19(20)15-9-6-11-22-15/h2-12,22H,1H3
InChIKeyDOFVMLZWKIBGCC-UHFFFAOYSA-N
XLogP4.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate?
The IUPAC name of methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate (CID 118970874) is methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate.
What is the SMILES notation for methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate?
The canonical SMILES for methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate is COC(=O)c1c2c3ccccc3nc(-c3ccc[nH]3)c2n2ccccc12.
What is the InChIKey of methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate?
The InChIKey is DOFVMLZWKIBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-26-21(25)18-16-10-4-5-12-24(16)20-17(18)13-7-2-3-8-14(13)23-19(20)15-9-6-11-22-15/h2-12,22H,1H3.
What are the key properties of methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate?
methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-pyrrol-2-yl)indolizino[3,2-c]quinoline-12-carboxylate is sourced from PubChem (CID 118970874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).