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

C21H24N6O4 — CID 154960656

IUPAC4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(OC)ccc3[nH]c2=O)n1
InChIInChI=1S/C21H24N6O4/c1-5-14-10-31-21(29)27(14)20-24-12(3)23-19(26-20)22-11(2)16-9-13-8-15(30-4)6-7-17(13)25-18(16)28/h6-9,11,14H,5,10H2,1-4H3,(H,25,28)(H,22,23,24,26)/t11-,14?/m0/s1
InChIKeyIFCOTSAZEXKJDG-ZSOXZCCMSA-N
MW424.46 g/mol
LogP2.94
Rot. Bonds6

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

4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154960656) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID154960656
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(OC)ccc3[nH]c2=O)n1
InChIInChI=1S/C21H24N6O4/c1-5-14-10-31-21(29)27(14)20-24-12(3)23-19(26-20)22-11(2)16-9-13-8-15(30-4)6-7-17(13)25-18(16)28/h6-9,11,14H,5,10H2,1-4H3,(H,25,28)(H,22,23,24,26)/t11-,14?/m0/s1
InChIKeyIFCOTSAZEXKJDG-ZSOXZCCMSA-N
XLogP2.94
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154960656) is 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CCC1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(OC)ccc3[nH]c2=O)n1.
What is the InChIKey of 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is IFCOTSAZEXKJDG-ZSOXZCCMSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-5-14-10-31-21(29)27(14)20-24-12(3)23-19(26-20)22-11(2)16-9-13-8-15(30-4)6-7-17(13)25-18(16)28/h6-9,11,14H,5,10H2,1-4H3,(H,25,28)(H,22,23,24,26)/t11-,14?/m0/s1.
What are the key properties of 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 424.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).