6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C24H27Cl2FN6O3 — CID 44529194

IUPAC6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCOc1nc2c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c(Cl)cnc2cc1F.Cl
InChIInChI=1S/C24H26ClFN6O3.ClH/c1-34-24-18(26)10-19-22(31-24)16(17(25)12-28-19)6-9-32-7-4-14(5-8-32)27-11-15-2-3-20-23(29-15)30-21(33)13-35-20;/h2-3,10,12,14,27H,4-9,11,13H2,1H3,(H,29,30,33);1H
InChIKeyXYAGYSUDXBVFLK-UHFFFAOYSA-N
MW537.42 g/mol
LogP3.38
Rot. Bonds7

About 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 44529194) has the molecular formula C24H27Cl2FN6O3 and a molecular weight of 537.42 g/mol. Its IUPAC name is 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
PubChem CID44529194
Molecular FormulaC24H27Cl2FN6O3
Molecular Weight537.42 g/mol
Exact Mass536.15
IUPAC Name6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCOc1nc2c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c(Cl)cnc2cc1F.Cl
InChIInChI=1S/C24H26ClFN6O3.ClH/c1-34-24-18(26)10-19-22(31-24)16(17(25)12-28-19)6-9-32-7-4-14(5-8-32)27-11-15-2-3-20-23(29-15)30-21(33)13-35-20;/h2-3,10,12,14,27H,4-9,11,13H2,1H3,(H,29,30,33);1H
InChIKeyXYAGYSUDXBVFLK-UHFFFAOYSA-N
XLogP3.38
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The IUPAC name of 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 44529194) is 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.
What is the SMILES notation for 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The canonical SMILES for 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is COc1nc2c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c(Cl)cnc2cc1F.Cl.
What is the InChIKey of 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The InChIKey is XYAGYSUDXBVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O3.ClH/c1-34-24-18(26)10-19-22(31-24)16(17(25)12-28-19)6-9-32-7-4-14(5-8-32)27-11-15-2-3-20-23(29-15)30-21(33)13-35-20;/h2-3,10,12,14,27H,4-9,11,13H2,1H3,(H,29,30,33);1H.
What are the key properties of 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 537.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 44529194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).