6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C26H31N5O4 — CID 69432638

IUPAC6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1cnc2cccc(C(O)CC(NCc3ccc4c(n3)NC(=O)CO4)C3CCCNC3)c2c1
InChIInChI=1S/C26H31N5O4/c1-34-18-10-20-19(5-2-6-21(20)29-14-18)23(32)11-22(16-4-3-9-27-12-16)28-13-17-7-8-24-26(30-17)31-25(33)15-35-24/h2,5-8,10,14,16,22-23,27-28,32H,3-4,9,11-13,15H2,1H3,(H,30,31,33)
InChIKeyZBFACYZEMPSQET-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.55
Rot. Bonds8

About 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 69432638) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID69432638
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1cnc2cccc(C(O)CC(NCc3ccc4c(n3)NC(=O)CO4)C3CCCNC3)c2c1
InChIInChI=1S/C26H31N5O4/c1-34-18-10-20-19(5-2-6-21(20)29-14-18)23(32)11-22(16-4-3-9-27-12-16)28-13-17-7-8-24-26(30-17)31-25(33)15-35-24/h2,5-8,10,14,16,22-23,27-28,32H,3-4,9,11-13,15H2,1H3,(H,30,31,33)
InChIKeyZBFACYZEMPSQET-UHFFFAOYSA-N
XLogP2.55
TPSA117.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69440581
N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 59626901
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
6-[[[3-(7-chloro-2-methoxyquinolin-8-yl)-3-hydroxy-1-piperidin-3-ylpropyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 69402730
6-[[[4-[2-(2-methoxyquinolin-8-yl)propyl]cycloheptyl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143189363
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxy-1-piperidin-3-ylpropyl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 69400957
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
6-[2-[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58523967
6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 66970927
(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
CID 141137953

Frequently Asked Questions

What is the IUPAC name of 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 69432638) is 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1cnc2cccc(C(O)CC(NCc3ccc4c(n3)NC(=O)CO4)C3CCCNC3)c2c1.
What is the InChIKey of 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZBFACYZEMPSQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-34-18-10-20-19(5-2-6-21(20)29-14-18)23(32)11-22(16-4-3-9-27-12-16)28-13-17-7-8-24-26(30-17)31-25(33)15-35-24/h2,5-8,10,14,16,22-23,27-28,32H,3-4,9,11-13,15H2,1H3,(H,30,31,33).
What are the key properties of 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 477.57 g/mol, XLogP of 2.55, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 69432638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).