methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate

C18H15NO3 — CID 46838287

IUPACmethyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)C2CC2)n2c1ccc1ccccc12
InChIInChI=1S/C18H15NO3/c1-22-18(21)13-10-16(17(20)12-6-7-12)19-14-5-3-2-4-11(14)8-9-15(13)19/h2-5,8-10,12H,6-7H2,1H3
InChIKeyLJQNZKIONXGGDH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.47
Rot. Bonds3

About methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate

methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 46838287) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID46838287
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)C2CC2)n2c1ccc1ccccc12
InChIInChI=1S/C18H15NO3/c1-22-18(21)13-10-16(17(20)12-6-7-12)19-14-5-3-2-4-11(14)8-9-15(13)19/h2-5,8-10,12H,6-7H2,1H3
InChIKeyLJQNZKIONXGGDH-UHFFFAOYSA-N
XLogP3.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate (CID 46838287) is methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate is COC(=O)c1cc(C(=O)C2CC2)n2c1ccc1ccccc12.
What is the InChIKey of methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is LJQNZKIONXGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-18(21)13-10-16(17(20)12-6-7-12)19-14-5-3-2-4-11(14)8-9-15(13)19/h2-5,8-10,12H,6-7H2,1H3.
What are the key properties of methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropanecarbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 46838287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).