(4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

C₂₂H₂₂ClFN₆O₂ — CID 151060963

About (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (PubChem CID 151060963) has the molecular formula C₂₂H₂₂ClFN₆O₂ and a molecular weight of 456.91 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
• PubChem CID: 151060963
• Molecular Formula: C₂₂H₂₂ClFN₆O₂
• Molecular Weight: 456.91 g/mol
• Exact Mass: 456.15
• IUPAC Name: (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ncn2c1CCc1c(Cl)cccc1-2
• InChI: InChI=1S/C22H22ClFN6O2/c1-12(24)18-10-32-22(31)30(18)19-8-9-25-21(28-19)27-13(2)20-17-7-6-14-15(23)4-3-5-16(14)29(17)11-26-20/h3-5,8-9,11-13,18H,6-7,10H2,1-2H3,(H,25,27,28)/t12-,13-,18+/m0/s1
• InChIKey: MGDNIHFSZHBKLT-ZJNRKIDTSA-N
• XLogP: 4.27
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.91
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (CID 151060963) is (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ncn2c1CCc1c(Cl)cccc1-2.

What is the InChIKey of (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

The InChIKey is MGDNIHFSZHBKLT-ZJNRKIDTSA-N. The full InChI is InChI=1S/C22H22ClFN6O2/c1-12(24)18-10-32-22(31)30(18)19-8-9-25-21(28-19)27-13(2)20-17-7-6-14-15(23)4-3-5-16(14)29(17)11-26-20/h3-5,8-9,11-13,18H,6-7,10H2,1-2H3,(H,25,27,28)/t12-,13-,18+/m0/s1.

What are the key properties of (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?

(4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one has a molecular weight of 456.91 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 151060963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151060963 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.