methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate

C17H18FN3O3 — CID 4980081

IUPACmethyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate
SMILESCOC(=O)c1c(N(C)C)n(C)c2c1c(=O)n(C)c1ccc(F)cc21
InChIInChI=1S/C17H18FN3O3/c1-19(2)15-13(17(23)24-5)12-14(21(15)4)10-8-9(18)6-7-11(10)20(3)16(12)22/h6-8H,1-5H3
InChIKeyOZXSLSUHEWEXOS-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.02
Rot. Bonds2

About methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate

methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate (PubChem CID 4980081) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate
PubChem CID4980081
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Namemethyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate
SMILESCOC(=O)c1c(N(C)C)n(C)c2c1c(=O)n(C)c1ccc(F)cc21
InChIInChI=1S/C17H18FN3O3/c1-19(2)15-13(17(23)24-5)12-14(21(15)4)10-8-9(18)6-7-11(10)20(3)16(12)22/h6-8H,1-5H3
InChIKeyOZXSLSUHEWEXOS-UHFFFAOYSA-N
XLogP2.02
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate (CID 4980081) is methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate is COC(=O)c1c(N(C)C)n(C)c2c1c(=O)n(C)c1ccc(F)cc21.
What is the InChIKey of methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate?
The InChIKey is OZXSLSUHEWEXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-19(2)15-13(17(23)24-5)12-14(21(15)4)10-8-9(18)6-7-11(10)20(3)16(12)22/h6-8H,1-5H3.
What are the key properties of methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate?
methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-8-fluoro-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 4980081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).