(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

C27H28N4O5 — CID 150982931

IUPAC(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3(O)CCN(C[C@@H]4CN(c5ccc6c(c5)NC=CO6)C(=O)O4)CC3)c2c1
InChIInChI=1S/C27H28N4O5/c1-34-19-3-4-23-21(15-19)22(6-9-28-23)27(33)7-11-30(12-8-27)16-20-17-31(26(32)36-20)18-2-5-25-24(14-18)29-10-13-35-25/h2-6,9-10,13-15,20,29,33H,7-8,11-12,16-17H2,1H3/t20-/m1/s1
InChIKeyLQLZMYMPJJHYBC-HXUWFJFHSA-N
MW488.54 g/mol
LogP3.83
Rot. Bonds5

About (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 150982931) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID150982931
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3(O)CCN(C[C@@H]4CN(c5ccc6c(c5)NC=CO6)C(=O)O4)CC3)c2c1
InChIInChI=1S/C27H28N4O5/c1-34-19-3-4-23-21(15-19)22(6-9-28-23)27(33)7-11-30(12-8-27)16-20-17-31(26(32)36-20)18-2-5-25-24(14-18)29-10-13-35-25/h2-6,9-10,13-15,20,29,33H,7-8,11-12,16-17H2,1H3/t20-/m1/s1
InChIKeyLQLZMYMPJJHYBC-HXUWFJFHSA-N
XLogP3.83
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954528
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734
3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 67904464
3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 10140659
3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 14368962
6-[(5R)-5-[[azetidin-3-yl-(6-methoxyquinolin-4-yl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 68722344
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 19746121
[4-(1,3-benzodioxol-5-yl)-1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] acetate
CID 19746138
[4-[(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 15034740
5-[[[1-(6-methoxyquinolin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954550
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one
CID 66737251
(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 45278855

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 150982931) is (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(C3(O)CCN(C[C@@H]4CN(c5ccc6c(c5)NC=CO6)C(=O)O4)CC3)c2c1.
What is the InChIKey of (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is LQLZMYMPJJHYBC-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-34-19-3-4-23-21(15-19)22(6-9-28-23)27(33)7-11-30(12-8-27)16-20-17-31(26(32)36-20)18-2-5-25-24(14-18)29-10-13-35-25/h2-6,9-10,13-15,20,29,33H,7-8,11-12,16-17H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 488.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 150982931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).