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

C17H14ClN5O — CID 166627691

IUPAC2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCN(C)c1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C17H14ClN5O/c1-23(2)15-8-16(24)22-13-4-3-10(7-11(13)15)21-14-5-6-20-17(18)12(14)9-19/h3-8H,1-2H3,(H,20,21)(H,22,24)
InChIKeyUEBFXJYEPAHLFL-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.26
Rot. Bonds3

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

2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 166627691) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID166627691
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCN(C)c1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C17H14ClN5O/c1-23(2)15-8-16(24)22-13-4-3-10(7-11(13)15)21-14-5-6-20-17(18)12(14)9-19/h3-8H,1-2H3,(H,20,21)(H,22,24)
InChIKeyUEBFXJYEPAHLFL-UHFFFAOYSA-N
XLogP3.26
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
N-{4-[(3-Chloro-4-fluoro-phenyl)amino]-3-cyano-6-quinolinyl}-2-butynamide
CID 22466664
4-[(3-chloro-N-pyridin-4-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 57403909
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile (CID 166627691) is 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is CN(C)c1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12.
What is the InChIKey of 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is UEBFXJYEPAHLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-23(2)15-8-16(24)22-13-4-3-10(7-11(13)15)21-14-5-6-20-17(18)12(14)9-19/h3-8H,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 339.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(dimethylamino)-2-oxo-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 166627691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).