methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate

C13H10N2O2 — CID 15629233

IUPACmethyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate
SMILESCOC(=O)c1cc2ccc3ncccc3c2[nH]1
InChIInChI=1S/C13H10N2O2/c1-17-13(16)11-7-8-4-5-10-9(12(8)15-11)3-2-6-14-10/h2-7,15H,1H3
InChIKeyPVDQEOGQLUGQGL-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds1

About methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate

methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate (PubChem CID 15629233) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate
PubChem CID15629233
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Namemethyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate
SMILESCOC(=O)c1cc2ccc3ncccc3c2[nH]1
InChIInChI=1S/C13H10N2O2/c1-17-13(16)11-7-8-4-5-10-9(12(8)15-11)3-2-6-14-10/h2-7,15H,1H3
InChIKeyPVDQEOGQLUGQGL-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-hydroxy-1H-indole-2-carboxylate
CID 13089718
1H-pyrrolo[2,3-f]quinolin-2-ylmethanol
CID 15629235
aminomethyl 2-(1H-pyrrolo[2,3-f]quinolin-2-yl)acetate
CID 142655746
1H-1,7-phenanthrolin-2-one
CID 66612290
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 7-acetyl-1H-indole-2-carboxylate
CID 130131539
methyl 10-methyl-8-oxa-6,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,12,15-heptaene-13-carboxylate
CID 167785131
methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate
CID 68772342
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 71721167

Frequently Asked Questions

What is the IUPAC name of methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate?
The IUPAC name of methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate (CID 15629233) is methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate.
What is the SMILES notation for methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate?
The canonical SMILES for methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate is COC(=O)c1cc2ccc3ncccc3c2[nH]1.
What is the InChIKey of methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate?
The InChIKey is PVDQEOGQLUGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)11-7-8-4-5-10-9(12(8)15-11)3-2-6-14-10/h2-7,15H,1H3.
What are the key properties of methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate?
methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate has a molecular weight of 226.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate is sourced from PubChem (CID 15629233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).