N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C20H25N3O2 — CID 20865251

IUPACN-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
InChIInChI=1S/C20H25N3O2/c1-5-7-12-23(6-2)20(25)17-13-15-18(21(17)3)14-10-8-9-11-16(14)22(4)19(15)24/h8-11,13H,5-7,12H2,1-4H3
InChIKeyXMLXCHCCPXNITG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds5

About N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 20865251) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID20865251
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
InChIInChI=1S/C20H25N3O2/c1-5-7-12-23(6-2)20(25)17-13-15-18(21(17)3)14-10-8-9-11-16(14)22(4)19(15)24/h8-11,13H,5-7,12H2,1-4H3
InChIKeyXMLXCHCCPXNITG-UHFFFAOYSA-N
XLogP3.29
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 20865251) is N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is CCCCN(CC)C(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C.
What is the InChIKey of N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is XMLXCHCCPXNITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-7-12-23(6-2)20(25)17-13-15-18(21(17)3)14-10-8-9-11-16(14)22(4)19(15)24/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).