[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate

C20H18ClN3O3 — CID 23944297

IUPAC[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
SMILESCCC(OC(=O)c1cccnc1Cl)C(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C20H18ClN3O3/c1-3-17(27-20(26)14-8-6-10-22-18(14)21)19(25)24-16-11-12(2)23-15-9-5-4-7-13(15)16/h4-11,17H,3H2,1-2H3,(H,23,24,25)
InChIKeyGODFMGSUFXMOMY-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.17
Rot. Bonds5

About [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate

[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate (PubChem CID 23944297) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
PubChem CID23944297
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
SMILESCCC(OC(=O)c1cccnc1Cl)C(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C20H18ClN3O3/c1-3-17(27-20(26)14-8-6-10-22-18(14)21)19(25)24-16-11-12(2)23-15-9-5-4-7-13(15)16/h4-11,17H,3H2,1-2H3,(H,23,24,25)
InChIKeyGODFMGSUFXMOMY-UHFFFAOYSA-N
XLogP4.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,5-dichloroanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 23860479
[1-(5-chloro-2-methoxyanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 23745021
[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 23860478
[1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 25038111
[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23745089
[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 23999967
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23744799
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23803038
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 41136561

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate (CID 23944297) is [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate is CCC(OC(=O)c1cccnc1Cl)C(=O)Nc1cc(C)nc2ccccc12.
What is the InChIKey of [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate?
The InChIKey is GODFMGSUFXMOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-3-17(27-20(26)14-8-6-10-22-18(14)21)19(25)24-16-11-12(2)23-15-9-5-4-7-13(15)16/h4-11,17H,3H2,1-2H3,(H,23,24,25).
What are the key properties of [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate?
[1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate has a molecular weight of 383.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 23944297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).