(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one

C21H22ClFN6O4 — CID 153222214

IUPAC(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(Cl)c(OC)c(F)c3[nH]c2=O)n1
InChIInChI=1S/C21H22ClFN6O4/c1-5-12-8-33-21(31)29(12)20-26-10(3)25-19(28-20)24-9(2)13-6-11-7-14(22)17(32-4)15(23)16(11)27-18(13)30/h6-7,9,12H,5,8H2,1-4H3,(H,27,30)(H,24,25,26,28)/t9-,12-/m0/s1
InChIKeyWNWXRZNLOCZDQA-CABZTGNLSA-N
MW476.90 g/mol
LogP3.73
Rot. Bonds6

About (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one

(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 153222214) has the molecular formula C21H22ClFN6O4 and a molecular weight of 476.90 g/mol. Its IUPAC name is (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID153222214
Molecular FormulaC21H22ClFN6O4
Molecular Weight476.90 g/mol
Exact Mass476.14
IUPAC Name(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(Cl)c(OC)c(F)c3[nH]c2=O)n1
InChIInChI=1S/C21H22ClFN6O4/c1-5-12-8-33-21(31)29(12)20-26-10(3)25-19(28-20)24-9(2)13-6-11-7-14(22)17(32-4)15(23)16(11)27-18(13)30/h6-7,9,12H,5,8H2,1-4H3,(H,27,30)(H,24,25,26,28)/t9-,12-/m0/s1
InChIKeyWNWXRZNLOCZDQA-CABZTGNLSA-N
XLogP3.73
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.90
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-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-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 153222214) is (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(Cl)c(OC)c(F)c3[nH]c2=O)n1.
What is the InChIKey of (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is WNWXRZNLOCZDQA-CABZTGNLSA-N. The full InChI is InChI=1S/C21H22ClFN6O4/c1-5-12-8-33-21(31)29(12)20-26-10(3)25-19(28-20)24-9(2)13-6-11-7-14(22)17(32-4)15(23)16(11)27-18(13)30/h6-7,9,12H,5,8H2,1-4H3,(H,27,30)(H,24,25,26,28)/t9-,12-/m0/s1.
What are the key properties of (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 476.90 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 153222214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).