(4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one

C22H25ClN6O4 — CID 146896400

IUPAC(4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1[C@@H](C)OC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)n1
InChIInChI=1S/C22H25ClN6O4/c1-6-17-11(3)33-22(31)29(17)21-26-12(4)25-20(28-21)24-10(2)14-7-13-8-15(23)18(32-5)9-16(13)27-19(14)30/h7-11,17H,6H2,1-5H3,(H,27,30)(H,24,25,26,28)/t10-,11+,17-/m0/s1
InChIKeyUCKGGHCFNUBJIA-RVPKQNPDSA-N
MW472.93 g/mol
LogP3.98
Rot. Bonds6

About (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one

(4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 146896400) has the molecular formula C22H25ClN6O4 and a molecular weight of 472.93 g/mol. Its IUPAC name is (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID146896400
Molecular FormulaC22H25ClN6O4
Molecular Weight472.93 g/mol
Exact Mass472.16
IUPAC Name(4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1[C@@H](C)OC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)n1
InChIInChI=1S/C22H25ClN6O4/c1-6-17-11(3)33-22(31)29(17)21-26-12(4)25-20(28-21)24-10(2)14-7-13-8-15(23)18(32-5)9-16(13)27-19(14)30/h7-11,17H,6H2,1-5H3,(H,27,30)(H,24,25,26,28)/t10-,11+,17-/m0/s1
InChIKeyUCKGGHCFNUBJIA-RVPKQNPDSA-N
XLogP3.98
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one (CID 146896400) is (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one is CC[C@H]1[C@@H](C)OC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)n1.
What is the InChIKey of (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is UCKGGHCFNUBJIA-RVPKQNPDSA-N. The full InChI is InChI=1S/C22H25ClN6O4/c1-6-17-11(3)33-22(31)29(17)21-26-12(4)25-20(28-21)24-10(2)14-7-13-8-15(23)18(32-5)9-16(13)27-19(14)30/h7-11,17H,6H2,1-5H3,(H,27,30)(H,24,25,26,28)/t10-,11+,17-/m0/s1.
What are the key properties of (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one?
(4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 472.93 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-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-ethyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 146896400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).