methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate

C16H13NO3 — CID 821571

IUPACmethyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)n2c1ccc1ccccc12
InChIInChI=1S/C16H13NO3/c1-10(18)15-9-12(16(19)20-2)14-8-7-11-5-3-4-6-13(11)17(14)15/h3-9H,1-2H3
InChIKeyYVZWYICLKPJTOV-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.08
Rot. Bonds2

About methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate

methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 821571) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID821571
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namemethyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)n2c1ccc1ccccc12
InChIInChI=1S/C16H13NO3/c1-10(18)15-9-12(16(19)20-2)14-8-7-11-5-3-4-6-13(11)17(14)15/h3-9H,1-2H3
InChIKeyYVZWYICLKPJTOV-UHFFFAOYSA-N
XLogP3.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 880885
ethyl 1-(4-bromobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 980306
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
methyl 2-methylimidazo[1,2-a]quinoline-1-carboxylate
CID 102431480
ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647
dimethyl 1-(2-oxochromene-3-carbonyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 102029310
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-benzoyl-1-(trifluoromethyl)pyrrolo[1,2-a]quinoline-2-carboxylate
CID 132539065
methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
CID 10935568
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 3-chloroindolizine-1-carboxylate
CID 102287159

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate (CID 821571) is methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate is COC(=O)c1cc(C(C)=O)n2c1ccc1ccccc12.
What is the InChIKey of methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is YVZWYICLKPJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10(18)15-9-12(16(19)20-2)14-8-7-11-5-3-4-6-13(11)17(14)15/h3-9H,1-2H3.
What are the key properties of methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate?
methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 821571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).