(4S)-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 150537306

IUPAC(4S)-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
SMILESCC[C@H]1COC(=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-FZMZJTMJSA-N
MW424.46 g/mol
LogP2.94
Rot. Bonds6

About (4S)-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

(4S)-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 150537306) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is (4S)-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 Name(4S)-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 CID150537306
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name(4S)-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
SMILESCC[C@H]1COC(=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-FZMZJTMJSA-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 (4S)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
(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
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-cyclopropyl-1,3-oxazolidin-2-one
CID 154975043
(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
(4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960791
(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960723
4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960667
(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591596
4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide
CID 154960596
(4S)-3-[4-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960817
6-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-7-[(1S)-1-fluoroethyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 154974602

Frequently Asked Questions

What is the IUPAC name of (4S)-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 (4S)-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 150537306) is (4S)-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 (4S)-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 (4S)-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 CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2cc3cc(OC)ccc3[nH]c2=O)n1.
What is the InChIKey of (4S)-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-FZMZJTMJSA-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 (4S)-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?
(4S)-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 (4S)-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 150537306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).