ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate

C16H16N2O3 — CID 4054772

IUPACethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2n1C
InChIInChI=1S/C16H16N2O3/c1-4-21-16(20)13-8-11-14(18(13)3)10-7-9(2)5-6-12(10)17-15(11)19/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyMLLKPXKCGXKAIG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.50
Rot. Bonds2

About ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate

ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate (PubChem CID 4054772) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate
PubChem CID4054772
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2n1C
InChIInChI=1S/C16H16N2O3/c1-4-21-16(20)13-8-11-14(18(13)3)10-7-9(2)5-6-12(10)17-15(11)19/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyMLLKPXKCGXKAIG-UHFFFAOYSA-N
XLogP2.50
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate?
The IUPAC name of ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate (CID 4054772) is ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate is CCOC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2n1C.
What is the InChIKey of ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate?
The InChIKey is MLLKPXKCGXKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-4-21-16(20)13-8-11-14(18(13)3)10-7-9(2)5-6-12(10)17-15(11)19/h5-8H,4H2,1-3H3,(H,17,19).
What are the key properties of ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate?
ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,8-dimethyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 4054772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).