2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one

C20H24N4O2 — CID 5308440

IUPAC2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
SMILESCCN1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
InChIInChI=1S/C20H24N4O2/c1-4-23-9-11-24(12-10-23)20(26)17-13-15-18(21(17)2)14-7-5-6-8-16(14)22(3)19(15)25/h5-8,13H,4,9-12H2,1-3H3
InChIKeyVZYWBAVWBMYUDU-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one

2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one (PubChem CID 5308440) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
PubChem CID5308440
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
SMILESCCN1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
InChIInChI=1S/C20H24N4O2/c1-4-23-9-11-24(12-10-23)20(26)17-13-15-18(21(17)2)14-7-5-6-8-16(14)22(3)19(15)25/h5-8,13H,4,9-12H2,1-3H3
InChIKeyVZYWBAVWBMYUDU-UHFFFAOYSA-N
XLogP1.81
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one (CID 5308440) is 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one is CCN1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
The InChIKey is VZYWBAVWBMYUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-23-9-11-24(12-10-23)20(26)17-13-15-18(21(17)2)14-7-5-6-8-16(14)22(3)19(15)25/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one?
2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one has a molecular weight of 352.44 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1-carbonyl)-1,5-dimethylpyrrolo[3,2-c]quinolin-4-one is sourced from PubChem (CID 5308440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).