6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C27H33ClN6O2 — CID 160530022

IUPAC6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCc1ccc2ncc(N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CC4)c2n1.Cl
InChIInChI=1S/C27H32N6O2.ClH/c1-17-2-4-21-24(31-17)19(20(28)15-29-21)6-7-26-8-11-27(12-9-26,13-10-26)30-14-18-3-5-22-25(32-18)33-23(34)16-35-22;/h2-5,15,30H,6-14,16,28H2,1H3,(H,32,33,34);1H
InChIKeyNOYYWBHBJDUVGT-UHFFFAOYSA-N
MW509.05 g/mol
LogP4.48
Rot. Bonds6

About 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 160530022) has the molecular formula C27H33ClN6O2 and a molecular weight of 509.05 g/mol. Its IUPAC name is 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
PubChem CID160530022
Molecular FormulaC27H33ClN6O2
Molecular Weight509.05 g/mol
Exact Mass508.24
IUPAC Name6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCc1ccc2ncc(N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CC4)c2n1.Cl
InChIInChI=1S/C27H32N6O2.ClH/c1-17-2-4-21-24(31-17)19(20(28)15-29-21)6-7-26-8-11-27(12-9-26,13-10-26)30-14-18-3-5-22-25(32-18)33-23(34)16-35-22;/h2-5,15,30H,6-14,16,28H2,1H3,(H,32,33,34);1H
InChIKeyNOYYWBHBJDUVGT-UHFFFAOYSA-N
XLogP4.48
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.05
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride 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-[({(1r,4s)-1-[(1s)-2-(3-Fluoro-6-Methoxy-1,5-Naphthyridin-4-Yl)-1-Hydroxyethyl]-2-Oxabicyclo[2.2.2]oct-4-Yl}amino)methyl]-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One
CID 74627726
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[1-[2-(3,7-difluoro-6-methoxy-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 71152871
6-[[[1-[2-[3-fluoro-7-(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 118736036
2-methyl-8-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridine-3-carbonitrile
CID 118736045
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
6-[[[1-[2-[7-(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 118736052
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
6-[[[4-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46205018
6-((((1R,4r)-4-((R)-1-Amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)cyclohexyl)amino)methyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 46205341

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The IUPAC name of 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 160530022) is 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.
What is the SMILES notation for 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The canonical SMILES for 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is Cc1ccc2ncc(N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CC4)c2n1.Cl.
What is the InChIKey of 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The InChIKey is NOYYWBHBJDUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2.ClH/c1-17-2-4-21-24(31-17)19(20(28)15-29-21)6-7-26-8-11-27(12-9-26,13-10-26)30-14-18-3-5-22-25(32-18)33-23(34)16-35-22;/h2-5,15,30H,6-14,16,28H2,1H3,(H,32,33,34);1H.
What are the key properties of 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 509.05 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 160530022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).