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

C14H16N4O2 — CID 103102039

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H16N4O2/c1-2-18(8-13(16)19)14(20)12-7-10(15)9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3,(H2,15,17)(H2,16,19)
InChIKeyGOHDIKXTYVVZDK-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.76
Rot. Bonds4

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

4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide (PubChem CID 103102039) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
PubChem CID103102039
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H16N4O2/c1-2-18(8-13(16)19)14(20)12-7-10(15)9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3,(H2,15,17)(H2,16,19)
InChIKeyGOHDIKXTYVVZDK-UHFFFAOYSA-N
XLogP0.76
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.76
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-ethylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide (CID 103102039) is 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide is CCN(CC(N)=O)C(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide?
The InChIKey is GOHDIKXTYVVZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-18(8-13(16)19)14(20)12-7-10(15)9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3,(H2,15,17)(H2,16,19).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.76, 4 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-ethylquinoline-2-carboxamide is sourced from PubChem (CID 103102039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).