N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C26H29N5O4S — CID 140640477

IUPACN-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc2ncc(OC(C)CN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc2c1
InChIInChI=1S/C26H29N5O4S/c1-16(35-25-13-27-20-5-4-19(34-2)12-21(20)30-25)14-31-9-7-18(8-10-31)28-26(33)17-3-6-23-22(11-17)29-24(32)15-36-23/h3-6,11-13,16,18H,7-10,14-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyGKAJVYVRRPPHRX-UHFFFAOYSA-N
MW507.62 g/mol
LogP3.34
Rot. Bonds7

About N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 140640477) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID140640477
Molecular FormulaC26H29N5O4S
Molecular Weight507.62 g/mol
Exact Mass507.19
IUPAC NameN-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc2ncc(OC(C)CN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc2c1
InChIInChI=1S/C26H29N5O4S/c1-16(35-25-13-27-20-5-4-19(34-2)12-21(20)30-25)14-31-9-7-18(8-10-31)28-26(33)17-3-6-23-22(11-17)29-24(32)15-36-23/h3-6,11-13,16,18H,7-10,14-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyGKAJVYVRRPPHRX-UHFFFAOYSA-N
XLogP3.34
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[3-fluoro-2-(7-methoxyquinoxalin-2-yl)oxypropyl]-3-hydroxypiperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46850931
N-[1-[3-(7-methoxyquinoxalin-2-yl)oxypropyl]azetidin-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46852072
7-chloro-N-[1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46835913
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24674034
7-bromo-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 10188205
methyl 1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]-4-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pyrrolidine-2-carboxylate
CID 71118984
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239097
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46798733
cis-(1R,3S)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677689
7-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[3,4-b][1,4]thiazin-2-one
CID 10277506
7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 59626865
6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 86730703

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 140640477) is N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccc2ncc(OC(C)CN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc2c1.
What is the InChIKey of N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GKAJVYVRRPPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c1-16(35-25-13-27-20-5-4-19(34-2)12-21(20)30-25)14-31-9-7-18(8-10-31)28-26(33)17-3-6-23-22(11-17)29-24(32)15-36-23/h3-6,11-13,16,18H,7-10,14-15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 140640477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).