methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate

C19H17N3O3 — CID 1261286

IUPACmethyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12
InChIInChI=1S/C19H17N3O3/c1-12-3-4-16-14(9-12)15(19(24)21-11-18(23)25-2)10-17(22-16)13-5-7-20-8-6-13/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyUQBWACRTJROTBQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.51
Rot. Bonds4

About methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate

methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate (PubChem CID 1261286) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
PubChem CID1261286
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12
InChIInChI=1S/C19H17N3O3/c1-12-3-4-16-14(9-12)15(19(24)21-11-18(23)25-2)10-17(22-16)13-5-7-20-8-6-13/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyUQBWACRTJROTBQ-UHFFFAOYSA-N
XLogP2.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate with MolForge

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Related Compounds

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
SB 218795
CID 6604858
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoate
CID 164609663
tert-butyl 2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetate
CID 164628984
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
Cystodytin J
CID 10403519
ethyl 2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetate
CID 164621444
N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164622848
6-methyl-N,2-di(pyridin-4-yl)quinoline-4-carboxamide
CID 899146
2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2105531

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate (CID 1261286) is methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12.
What is the InChIKey of methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The InChIKey is UQBWACRTJROTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-3-4-16-14(9-12)15(19(24)21-11-18(23)25-2)10-17(22-16)13-5-7-20-8-6-13/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate has a molecular weight of 335.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 1261286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).