6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

C24H29Cl3N6O4 — CID 68508078

IUPAC6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)ccc2ncc(Cl)c(CCN3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](O)C3)c21
InChIInChI=1S/C24H27ClN6O4.2ClH/c1-30-22(34)5-3-18-23(30)15(16(25)11-27-18)6-8-31-9-7-17(19(32)12-31)26-10-14-2-4-20-24(28-14)29-21(33)13-35-20;;/h2-5,11,17,19,26,32H,6-10,12-13H2,1H3,(H,28,29,33);2*1H/t17-,19-;;/m0../s1
InChIKeyRERGBUBVOABPEI-FFUVTKDNSA-N
MW571.89 g/mol
LogP1.92
Rot. Bonds6

About 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride

6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (PubChem CID 68508078) has the molecular formula C24H29Cl3N6O4 and a molecular weight of 571.89 g/mol. Its IUPAC name is 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.

Molecular Properties

Compound Name6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
PubChem CID68508078
Molecular FormulaC24H29Cl3N6O4
Molecular Weight571.89 g/mol
Exact Mass570.13
IUPAC Name6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)ccc2ncc(Cl)c(CCN3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](O)C3)c21
InChIInChI=1S/C24H27ClN6O4.2ClH/c1-30-22(34)5-3-18-23(30)15(16(25)11-27-18)6-8-31-9-7-17(19(32)12-31)26-10-14-2-4-20-24(28-14)29-21(33)13-35-20;;/h2-5,11,17,19,26,32H,6-10,12-13H2,1H3,(H,28,29,33);2*1H/t17-,19-;;/m0../s1
InChIKeyRERGBUBVOABPEI-FFUVTKDNSA-N
XLogP1.92
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.89
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride with MolForge

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Related Compounds

6-[[[(3R)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143608556
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
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
6-[2-[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143612708
6-[[[(3S,4R)-1-[2-(5,7-difluoro-2-oxoquinolin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 66774103
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-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one
CID 24888266
7-chloro-1-methyl-8-[2-[(3R)-3-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)methyl]pyrrolidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 24888264
N-tert-butyl-N-[(3R,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamate
CID 131739843
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
6-[[[(3S,4R)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;dihydrochloride
CID 68565780
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

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The IUPAC name of 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride (CID 68508078) is 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride.
What is the SMILES notation for 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The canonical SMILES for 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is Cl.Cl.Cn1c(=O)ccc2ncc(Cl)c(CCN3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](O)C3)c21.
What is the InChIKey of 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
The InChIKey is RERGBUBVOABPEI-FFUVTKDNSA-N. The full InChI is InChI=1S/C24H27ClN6O4.2ClH/c1-30-22(34)5-3-18-23(30)15(16(25)11-27-18)6-8-31-9-7-17(19(32)12-31)26-10-14-2-4-20-24(28-14)29-21(33)13-35-20;;/h2-5,11,17,19,26,32H,6-10,12-13H2,1H3,(H,28,29,33);2*1H/t17-,19-;;/m0../s1.
What are the key properties of 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride?
6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride has a molecular weight of 571.89 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride is sourced from PubChem (CID 68508078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).