6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H29N5O5 — CID 15982151

IUPAC6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2
InChIInChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30)
InChIKeyOMHYWQXDTNWHST-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.13
Rot. Bonds7

About 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 15982151) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID15982151
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2
InChIInChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30)
InChIKeyOMHYWQXDTNWHST-UHFFFAOYSA-N
XLogP2.13
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[[1-[2-(6-methoxy-3-oxo-1,4-benzoxazin-4-yl)ethyl]-2-oxopiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15982154
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-[[[(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
7-fluoro-2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-5-carbonitrile
CID 15982800
7-fluoro-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118868402
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-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90732223
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 126601072
6-[[2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536892
6-[[[1-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24890996
1-[2-[(3R,4S)-3-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile;dihydrochloride
CID 25008764

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 15982151) is 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2.
What is the InChIKey of 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is OMHYWQXDTNWHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30).
What are the key properties of 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 467.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 15982151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).