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

C21H23ClN6O4 — CID 154960658

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)n1
InChIInChI=1S/C21H23ClN6O4/c1-5-13-9-32-21(30)28(13)20-25-11(3)24-19(27-20)23-10(2)14-6-12-7-15(22)17(31-4)8-16(12)26-18(14)29/h6-8,10,13H,5,9H2,1-4H3,(H,26,29)(H,23,24,25,27)/t10?,13-/m0/s1
InChIKeyGLOHBIVTQXRUHI-HQVZTVAUSA-N
MW458.91 g/mol
LogP3.59
Rot. Bonds6

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

(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 154960658) has the molecular formula C21H23ClN6O4 and a molecular weight of 458.91 g/mol. Its IUPAC name is (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID154960658
Molecular FormulaC21H23ClN6O4
Molecular Weight458.91 g/mol
Exact Mass458.15
IUPAC Name(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)n1
InChIInChI=1S/C21H23ClN6O4/c1-5-13-9-32-21(30)28(13)20-25-11(3)24-19(27-20)23-10(2)14-6-12-7-15(22)17(31-4)8-16(12)26-18(14)29/h6-8,10,13H,5,9H2,1-4H3,(H,26,29)(H,23,24,25,27)/t10?,13-/m0/s1
InChIKeyGLOHBIVTQXRUHI-HQVZTVAUSA-N
XLogP3.59
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 154960658) is (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)n1.
What is the InChIKey of (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is GLOHBIVTQXRUHI-HQVZTVAUSA-N. The full InChI is InChI=1S/C21H23ClN6O4/c1-5-13-9-32-21(30)28(13)20-25-11(3)24-19(27-20)23-10(2)14-6-12-7-15(22)17(31-4)8-16(12)26-18(14)29/h6-8,10,13H,5,9H2,1-4H3,(H,26,29)(H,23,24,25,27)/t10?,13-/m0/s1.
What are the key properties of (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 458.91 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 (4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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