6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C27H30N4O5 — CID 44536952

IUPAC6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCC(O)(CCc4ccnc5cc6c(cc45)OCCO6)CC3)nc2N1
InChIInChI=1S/C27H30N4O5/c32-25-16-36-22-2-1-19(30-26(22)31-25)15-29-18-4-8-27(33,9-5-18)7-3-17-6-10-28-21-14-24-23(13-20(17)21)34-11-12-35-24/h1-2,6,10,13-14,18,29,33H,3-5,7-9,11-12,15-16H2,(H,30,31,32)
InChIKeyZZBWCZNCEDMGQM-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.13
Rot. Bonds6

About 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 44536952) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID44536952
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCC(O)(CCc4ccnc5cc6c(cc45)OCCO6)CC3)nc2N1
InChIInChI=1S/C27H30N4O5/c32-25-16-36-22-2-1-19(30-26(22)31-25)15-29-18-4-8-27(33,9-5-18)7-3-17-6-10-28-21-14-24-23(13-20(17)21)34-11-12-35-24/h1-2,6,10,13-14,18,29,33H,3-5,7-9,11-12,15-16H2,(H,30,31,32)
InChIKeyZZBWCZNCEDMGQM-UHFFFAOYSA-N
XLogP3.13
TPSA114.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

N-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)-1-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 10098218
2-fluoro-N-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]acetamide
CID 141263802
6-[[[1-[2-[6-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736051
4-[(2-chloroquinolin-3-yl)methylamino]-1-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-ol
CID 21104621
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-[[[1-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 131739478
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
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-1,9-diazatricyclo[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 24856532
1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143875784
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

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 44536952) is 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC3CCC(O)(CCc4ccnc5cc6c(cc45)OCCO6)CC3)nc2N1.
What is the InChIKey of 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZZBWCZNCEDMGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c32-25-16-36-22-2-1-19(30-26(22)31-25)15-29-18-4-8-27(33,9-5-18)7-3-17-6-10-28-21-14-24-23(13-20(17)21)34-11-12-35-24/h1-2,6,10,13-14,18,29,33H,3-5,7-9,11-12,15-16H2,(H,30,31,32).
What are the key properties of 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 490.56 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44536952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).