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

C18H15N3O3 — CID 2349755

IUPACmethyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H15N3O3/c1-24-17(22)11-20-18(23)14-10-16(12-6-8-19-9-7-12)21-15-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,20,23)
InChIKeyAJTKUPPKKAKJCY-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.20
Rot. Bonds4

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

methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate (PubChem CID 2349755) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
PubChem CID2349755
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namemethyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H15N3O3/c1-24-17(22)11-20-18(23)14-10-16(12-6-8-19-9-7-12)21-15-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,20,23)
InChIKeyAJTKUPPKKAKJCY-UHFFFAOYSA-N
XLogP2.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate (CID 2349755) is methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
The InChIKey is AJTKUPPKKAKJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-17(22)11-20-18(23)14-10-16(12-6-8-19-9-7-12)21-15-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate?
methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate has a molecular weight of 321.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 2349755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).