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

C26H28N6O5 — CID 66954697

IUPAC6-[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
SMILESCOc1ccc2nccc(N3CCC(NCC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1
InChIInChI=1S/C26H28N6O5/c1-35-24-5-3-19-25(30-24)21(6-9-27-19)31-10-7-16(8-11-31)28-13-18-14-32(26(34)37-18)17-2-4-22-20(12-17)29-23(33)15-36-22/h2-6,9,12,16,18,28H,7-8,10-11,13-15H2,1H3,(H,29,33)
InChIKeyXEYZLCCYLHFTLU-UHFFFAOYSA-N
MW504.55 g/mol
LogP2.55
Rot. Bonds6

About 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

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 (PubChem CID 66954697) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID66954697
Molecular FormulaC26H28N6O5
Molecular Weight504.55 g/mol
Exact Mass504.21
IUPAC Name6-[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
SMILESCOc1ccc2nccc(N3CCC(NCC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1
InChIInChI=1S/C26H28N6O5/c1-35-24-5-3-19-25(30-24)21(6-9-27-19)31-10-7-16(8-11-31)28-13-18-14-32(26(34)37-18)17-2-4-22-20(12-17)29-23(33)15-36-22/h2-6,9,12,16,18,28H,7-8,10-11,13-15H2,1H3,(H,29,33)
InChIKeyXEYZLCCYLHFTLU-UHFFFAOYSA-N
XLogP2.55
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[[[(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
(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
3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 66954206
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
(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
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-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25097708
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[[(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 25096931
(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
6-[(5R)-5-[[[(9S)-2-methoxy-9,10-dihydro-8H-pyrano[2,3-h]quinolin-9-yl]methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67223039

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2nccc(N3CCC(NCC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1.
What is the InChIKey of 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?
The InChIKey is XEYZLCCYLHFTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-35-24-5-3-19-25(30-24)21(6-9-27-19)31-10-7-16(8-11-31)28-13-18-14-32(26(34)37-18)17-2-4-22-20(12-17)29-23(33)15-36-22/h2-6,9,12,16,18,28H,7-8,10-11,13-15H2,1H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 504.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66954697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).