4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide

C13H14N4O2 — CID 115349399

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C13H14N4O2/c1-17(7-12(15)18)13(19)11-6-9(14)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H2,14,16)(H2,15,18)
InChIKeyBMSXFRQAJIEMQU-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.37
Rot. Bonds3

About 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide (PubChem CID 115349399) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
PubChem CID115349399
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C13H14N4O2/c1-17(7-12(15)18)13(19)11-6-9(14)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H2,14,16)(H2,15,18)
InChIKeyBMSXFRQAJIEMQU-UHFFFAOYSA-N
XLogP0.37
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide (CID 115349399) is 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide is CN(CC(N)=O)C(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide?
The InChIKey is BMSXFRQAJIEMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(7-12(15)18)13(19)11-6-9(14)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H2,14,16)(H2,15,18).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 115349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).