2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C22H21N5O — CID 70730012

IUPAC2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c2cccc(C)c2n1
InChIInChI=1S/C22H21N5O/c1-15-5-3-7-18-19(13-16(2)25-20(15)18)22(28)27-11-9-26(10-12-27)21-17(14-23)6-4-8-24-21/h3-8,13H,9-12H2,1-2H3
InChIKeyRVMMLIVGQLYJLS-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.08
Rot. Bonds2

About 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 70730012) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID70730012
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c2cccc(C)c2n1
InChIInChI=1S/C22H21N5O/c1-15-5-3-7-18-19(13-16(2)25-20(15)18)22(28)27-11-9-26(10-12-27)21-17(14-23)6-4-8-24-21/h3-8,13H,9-12H2,1-2H3
InChIKeyRVMMLIVGQLYJLS-UHFFFAOYSA-N
XLogP3.08
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-(2,3-dimethyl-1H-indole-7-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78852290
2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 99164423
2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70707308
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55455914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 70730012) is 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c2cccc(C)c2n1.
What is the InChIKey of 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RVMMLIVGQLYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-5-3-7-18-19(13-16(2)25-20(15)18)22(28)27-11-9-26(10-12-27)21-17(14-23)6-4-8-24-21/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70730012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).