2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide

C18H15ClN6O2 — CID 135386617

IUPAC2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26)
InChIKeyKFQFCTJGGHXAIT-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.35
Rot. Bonds5

About 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide

2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide (PubChem CID 135386617) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide
PubChem CID135386617
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26)
InChIKeyKFQFCTJGGHXAIT-UHFFFAOYSA-N
XLogP2.35
TPSA122.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide 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-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
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
US20230287003, Example 1c
CID 146172016
2-chloro-4-[[(2S,4S)-2,4,7-trimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146172017
US20230287003, Example 1h
CID 146172123
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide
CID 156564864
2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368329
2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368331

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide (CID 135386617) is 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide is CNC(=O)CNc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12.
What is the InChIKey of 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide?
The InChIKey is KFQFCTJGGHXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26).
What are the key properties of 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide?
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide has a molecular weight of 382.81 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 135386617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).