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

C26H26N4O6 — CID 67223039

IUPAC6-[(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
SMILESCOc1ccc2ccc3c(c2n1)C[C@@H](CNC[C@@H]1CN(c2ccc4c(c2)NC(=O)CO4)C(=O)O1)CO3
InChIInChI=1S/C26H26N4O6/c1-33-24-7-3-16-2-5-21-19(25(16)29-24)8-15(13-34-21)10-27-11-18-12-30(26(32)36-18)17-4-6-22-20(9-17)28-23(31)14-35-22/h2-7,9,15,18,27H,8,10-14H2,1H3,(H,28,31)/t15-,18+/m0/s1
InChIKeyYSXXMNFCMHBDLO-MAUKXSAKSA-N
MW490.52 g/mol
LogP2.74
Rot. Bonds6

About 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

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 (PubChem CID 67223039) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID67223039
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name6-[(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
SMILESCOc1ccc2ccc3c(c2n1)C[C@@H](CNC[C@@H]1CN(c2ccc4c(c2)NC(=O)CO4)C(=O)O1)CO3
InChIInChI=1S/C26H26N4O6/c1-33-24-7-3-16-2-5-21-19(25(16)29-24)8-15(13-34-21)10-27-11-18-12-30(26(32)36-18)17-4-6-22-20(9-17)28-23(31)14-35-22/h2-7,9,15,18,27H,8,10-14H2,1H3,(H,28,31)/t15-,18+/m0/s1
InChIKeyYSXXMNFCMHBDLO-MAUKXSAKSA-N
XLogP2.74
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

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
(5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 44633948
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
6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737308
6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954463
(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
6-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971
5-[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67223044
(5S)-5-[[2-[(9S)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67223323
6-[(5R)-2-oxo-5-[[[(3S)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]methylamino]methyl]-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67351401
6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2ccc3c(c2n1)C[C@@H](CNC[C@@H]1CN(c2ccc4c(c2)NC(=O)CO4)C(=O)O1)CO3.
What is the InChIKey of 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?
The InChIKey is YSXXMNFCMHBDLO-MAUKXSAKSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-33-24-7-3-16-2-5-21-19(25(16)29-24)8-15(13-34-21)10-27-11-18-12-30(26(32)36-18)17-4-6-22-20(9-17)28-23(31)14-35-22/h2-7,9,15,18,27H,8,10-14H2,1H3,(H,28,31)/t15-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 490.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67223039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).