N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C18H18N4O4 — CID 51119861

About N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 51119861) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
• PubChem CID: 51119861
• Molecular Formula: C18H18N4O4
• Molecular Weight: 354.37 g/mol
• Exact Mass: 354.13
• IUPAC Name: N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
• SMILES: Cc1cc(CN(C)C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)no1
• InChI: InChI=1S/C18H18N4O4/c1-11-7-12(21-26-11)10-22(2)16(23)9-20-18(25)14-8-19-15-6-4-3-5-13(15)17(14)24/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,25)
• InChIKey: SKAFWXVDWBVVDY-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 108.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.37
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

The IUPAC name of N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 51119861) is N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(CN(C)C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)no1.

What is the InChIKey of N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

The InChIKey is SKAFWXVDWBVVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-7-12(21-26-11)10-22(2)16(23)9-20-18(25)14-8-19-15-6-4-3-5-13(15)17(14)24/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,25).

What are the key properties of N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51119861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).