3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one

C22H23ClN6O4 — CID 154975043

About 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one

3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one (PubChem CID 154975043) has the molecular formula C22H23ClN6O4 and a molecular weight of 470.92 g/mol. Its IUPAC name is 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
• PubChem CID: 154975043
• Molecular Formula: C22H23ClN6O4
• Molecular Weight: 470.92 g/mol
• Exact Mass: 470.15
• IUPAC Name: 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
• SMILES: COc1cc2[nH]c(=O)c([C@H](C)Nc3nc(C)nc(N4C(=O)OCC4C4CC4)n3)cc2cc1Cl
• InChI: InChI=1S/C22H23ClN6O4/c1-10(14-6-13-7-15(23)18(32-3)8-16(13)27-19(14)30)24-20-25-11(2)26-21(28-20)29-17(12-4-5-12)9-33-22(29)31/h6-8,10,12,17H,4-5,9H2,1-3H3,(H,27,30)(H,24,25,26,28)/t10-,17?/m0/s1
• InChIKey: AIOBJEXDURJHEI-YOZOHBORSA-N
• XLogP: 3.59
• TPSA: 122.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.92
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one (CID 154975043) is 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one is COc1cc2[nH]c(=O)c([C@H](C)Nc3nc(C)nc(N4C(=O)OCC4C4CC4)n3)cc2cc1Cl.

What is the InChIKey of 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?

The InChIKey is AIOBJEXDURJHEI-YOZOHBORSA-N. The full InChI is InChI=1S/C22H23ClN6O4/c1-10(14-6-13-7-15(23)18(32-3)8-16(13)27-19(14)30)24-20-25-11(2)26-21(28-20)29-17(12-4-5-12)9-33-22(29)31/h6-8,10,12,17H,4-5,9H2,1-3H3,(H,27,30)(H,24,25,26,28)/t10-,17?/m0/s1.

What are the key properties of 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?

3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one has a molecular weight of 470.92 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154975043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).