6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C24H24N6O5 — CID 68736467

IUPAC6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2nccc(N3CC(NC[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CO5)C3)c2n1
InChIInChI=1S/C24H24N6O5/c1-33-22-5-3-17-23(28-22)19(6-7-25-17)29-10-14(11-29)26-9-16-12-35-24(32)30(16)15-2-4-20-18(8-15)27-21(31)13-34-20/h2-8,14,16,26H,9-13H2,1H3,(H,27,31)/t16-/m0/s1
InChIKeyJJHHPVHQVNCGIG-INIZCTEOSA-N
MW476.49 g/mol
LogP1.77
Rot. Bonds6

About 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 68736467) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
PubChem CID68736467
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2nccc(N3CC(NC[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CO5)C3)c2n1
InChIInChI=1S/C24H24N6O5/c1-33-22-5-3-17-23(28-22)19(6-7-25-17)29-10-14(11-29)26-9-16-12-35-24(32)30(16)15-2-4-20-18(8-15)27-21(31)13-34-20/h2-8,14,16,26H,9-13H2,1H3,(H,27,31)/t16-/m0/s1
InChIKeyJJHHPVHQVNCGIG-INIZCTEOSA-N
XLogP1.77
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954697
5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66954645
(5R)-5-[[[(3R)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096186
6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954723
6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954724
(5R)-5-[[[(3S,4S)-4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954089
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 25096183
6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 25115097
(5R)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096691
ethyl (3S,4R)-1-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]pyrrolidine-3-carboxylate
CID 66954516
ethyl (3S,4R)-1-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]pyrrolidine-3-carboxylate
CID 66954515
3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 66954206

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 68736467) is 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2nccc(N3CC(NC[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CO5)C3)c2n1.
What is the InChIKey of 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JJHHPVHQVNCGIG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-33-22-5-3-17-23(28-22)19(6-7-25-17)29-10-14(11-29)26-9-16-12-35-24(32)30(16)15-2-4-20-18(8-15)27-21(31)13-34-20/h2-8,14,16,26H,9-13H2,1H3,(H,27,31)/t16-/m0/s1.
What are the key properties of 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 476.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-4-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 68736467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).