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

C17H14ClN5O — CID 162368331

IUPAC2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCCNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyHQTXWNXINXRBIU-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.62
Rot. Bonds4

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

2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 162368331) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID162368331
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCCNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyHQTXWNXINXRBIU-UHFFFAOYSA-N
XLogP3.62
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

(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
4-(Benzylamino)-2-chloronicotinonitrile
CID 788151
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
N-{4-[(3-Chloro-4-fluoro-phenyl)amino]-3-cyano-6-quinolinyl}-2-butynamide
CID 22466664
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-methylpropanamide
CID 135386797
2-chloro-4-[[(2S)-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 146171933
2-Chloro-4-[(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 146171934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (CID 162368331) is 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is CCNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12.
What is the InChIKey of 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is HQTXWNXINXRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 339.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(ethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 162368331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).