6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

C24H26Cl2FN5OS — CID 44536985

IUPAC6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
SMILESCl.O=C1CSc2ccc(CNC3CCN(CCc4c(Cl)cnc5ccc(F)cc45)CC3)nc2N1
InChIInChI=1S/C24H25ClFN5OS.ClH/c25-20-13-28-21-3-1-15(26)11-19(21)18(20)7-10-31-8-5-16(6-9-31)27-12-17-2-4-22-24(29-17)30-23(32)14-33-22;/h1-4,11,13,16,27H,5-10,12,14H2,(H,29,30,32);1H
InChIKeyMQSDNDWDUFDQCJ-UHFFFAOYSA-N
MW522.48 g/mol
LogP4.68
Rot. Bonds6

About 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (PubChem CID 44536985) has the molecular formula C24H26Cl2FN5OS and a molecular weight of 522.48 g/mol. Its IUPAC name is 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
PubChem CID44536985
Molecular FormulaC24H26Cl2FN5OS
Molecular Weight522.48 g/mol
Exact Mass521.12
IUPAC Name6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
SMILESCl.O=C1CSc2ccc(CNC3CCN(CCc4c(Cl)cnc5ccc(F)cc45)CC3)nc2N1
InChIInChI=1S/C24H25ClFN5OS.ClH/c25-20-13-28-21-3-1-15(26)11-19(21)18(20)7-10-31-8-5-16(6-9-31)27-12-17-2-4-22-24(29-17)30-23(32)14-33-22;/h1-4,11,13,16,27H,5-10,12,14H2,(H,29,30,32);1H
InChIKeyMQSDNDWDUFDQCJ-UHFFFAOYSA-N
XLogP4.68
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 139295369
N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2369856
N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide
CID 3913264
6-[[[1-[2-(3-chloro-8-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527062
6-[[[1-[2-(3,6-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44528379
6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44536369
6-[[[1-[2-[6-(propylamino)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one;hydrochloride
CID 44536415
6-[[[1-[2-(3,6-dichloroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44536984
N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-2-(pyridin-4-ylsulfanyl)-acetamide
CID 44396196
6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44536988
N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide
CID 5087165
6-[[2-[4-(6,8-difluoroquinolin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10095879

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The IUPAC name of 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (CID 44536985) is 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.
What is the SMILES notation for 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The canonical SMILES for 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is Cl.O=C1CSc2ccc(CNC3CCN(CCc4c(Cl)cnc5ccc(F)cc45)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The InChIKey is MQSDNDWDUFDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5OS.ClH/c25-20-13-28-21-3-1-15(26)11-19(21)18(20)7-10-31-8-5-16(6-9-31)27-12-17-2-4-22-24(29-17)30-23(32)14-33-22;/h1-4,11,13,16,27H,5-10,12,14H2,(H,29,30,32);1H.
What are the key properties of 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride has a molecular weight of 522.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is sourced from PubChem (CID 44536985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).