5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile

C23H25N5O — CID 175929484

IUPAC5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCC1=Nc2c(C)cc(CN3CCN(c4ccc(C#N)nc4)CC3)cc2CC1=O
InChIInChI=1S/C23H25N5O/c1-3-21-22(29)12-18-11-17(10-16(2)23(18)26-21)15-27-6-8-28(9-7-27)20-5-4-19(13-24)25-14-20/h4-5,10-11,14H,3,6-9,12,15H2,1-2H3
InChIKeyGSFRAQVYRJXIPN-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.19
Rot. Bonds4

About 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile

5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 175929484) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID175929484
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCC1=Nc2c(C)cc(CN3CCN(c4ccc(C#N)nc4)CC3)cc2CC1=O
InChIInChI=1S/C23H25N5O/c1-3-21-22(29)12-18-11-17(10-16(2)23(18)26-21)15-27-6-8-28(9-7-27)20-5-4-19(13-24)25-14-20/h4-5,10-11,14H,3,6-9,12,15H2,1-2H3
InChIKeyGSFRAQVYRJXIPN-UHFFFAOYSA-N
XLogP3.19
TPSA72.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile (CID 175929484) is 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile is CCC1=Nc2c(C)cc(CN3CCN(c4ccc(C#N)nc4)CC3)cc2CC1=O.
What is the InChIKey of 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is GSFRAQVYRJXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-21-22(29)12-18-11-17(10-16(2)23(18)26-21)15-27-6-8-28(9-7-27)20-5-4-19(13-24)25-14-20/h4-5,10-11,14H,3,6-9,12,15H2,1-2H3.
What are the key properties of 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 387.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 175929484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).