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

C27H28ClN5O2 — CID 90362867

IUPAC6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1ccc2ncc(Cl)c(/C=C\C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CC4)c2n1
InChIInChI=1S/C27H28ClN5O2/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/h2-7,15,30H,8-14,16H2,1H3,(H,32,33,34)/b7-6-
InChIKeyHLUKVRHFIZGPKG-SREVYHEPSA-N
MW490.01 g/mol
LogP5.21
Rot. Bonds5

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

6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90362867) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID90362867
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC Name6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1ccc2ncc(Cl)c(/C=C\C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CC4)c2n1
InChIInChI=1S/C27H28ClN5O2/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/h2-7,15,30H,8-14,16H2,1H3,(H,32,33,34)/b7-6-
InChIKeyHLUKVRHFIZGPKG-SREVYHEPSA-N
XLogP5.21
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.01
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

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
6-[[[4-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152807
6-[[[1-[2-(6-methoxy-3-methylsulfonyl-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 118735870
ethane;6-[[[1-[2-(3-hydroxy-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 144500237
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-(3-fluoro-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 71152940
4-[2-hydroxy-2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 71152646
6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-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 71153155
2,2-difluoro-4-[[7-fluoro-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-naphthyridin-2-yl]oxy]butanamide
CID 71152878
6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-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 78015452
4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-propoxy-1,5-naphthyridine-3-carbonitrile
CID 90363059
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

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 90362867) is 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cc1ccc2ncc(Cl)c(/C=C\C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CC4)c2n1.
What is the InChIKey of 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is HLUKVRHFIZGPKG-SREVYHEPSA-N. The full InChI is InChI=1S/C27H28ClN5O2/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/h2-7,15,30H,8-14,16H2,1H3,(H,32,33,34)/b7-6-.
What are the key properties of 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 490.01 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90362867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).