2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

C19H18ClN5O — CID 163359800

IUPAC2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCCNc1c(C)c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24)
InChIKeyAAVLXLCJTOLPIR-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 163359800) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID163359800
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCCNc1c(C)c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24)
InChIKeyAAVLXLCJTOLPIR-UHFFFAOYSA-N
XLogP3.94
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.94
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-(ethylamino)-1,3-dimethyl-2-oxoquinolin-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-[[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-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171902
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-chloro-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146188987
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 3l
CID 135386472
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-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (CID 163359800) is 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is CCNc1c(C)c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12.
What is the InChIKey of 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is AAVLXLCJTOLPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24).
What are the key properties of 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 367.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(ethylamino)-1,3-dimethyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 163359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).