2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile

C20H19ClN6O — CID 162368329

IUPAC2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCN1CCN(c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)CC1
InChIInChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28)
InChIKeySYEISTIQVVVHKQ-UHFFFAOYSA-N
MW394.87 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 162368329) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID162368329
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCN1CCN(c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)CC1
InChIInChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28)
InChIKeySYEISTIQVVVHKQ-UHFFFAOYSA-N
XLogP2.94
TPSA88.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]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-Chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385343
2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385752
2-Chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385909
(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 142478375
2-chloro-4-[[(2S)-2,7-dimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171979
2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368330
(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 162368332
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 9954075
US11161839, Example 1a
CID 135385641
US11161839, Example 11h
CID 135385947
US11161839, Example 11i
CID 135386079
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-methylpropanamide
CID 135386797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (CID 162368329) is 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is CN1CCN(c2cc(=O)[nH]c3ccc(Nc4ccnc(Cl)c4C#N)cc23)CC1.
What is the InChIKey of 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is SYEISTIQVVVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28).
What are the key properties of 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 394.87 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(4-methylpiperazin-1-yl)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 162368329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).