N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C18H14ClN3O4S — CID 42959937

IUPACN-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2cccnc12
InChIInChI=1S/C18H14ClN3O4S/c1-10-7-13(19)18(12-3-2-6-20-17(10)12)22-27(24,25)11-4-5-15-14(8-11)21-16(23)9-26-15/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyYKTZIBZBYIODPF-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.33
Rot. Bonds3

About N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 42959937) has the molecular formula C18H14ClN3O4S and a molecular weight of 403.85 g/mol. Its IUPAC name is N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID42959937
Molecular FormulaC18H14ClN3O4S
Molecular Weight403.85 g/mol
Exact Mass403.04
IUPAC NameN-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2cccnc12
InChIInChI=1S/C18H14ClN3O4S/c1-10-7-13(19)18(12-3-2-6-20-17(10)12)22-27(24,25)11-4-5-15-14(8-11)21-16(23)9-26-15/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyYKTZIBZBYIODPF-UHFFFAOYSA-N
XLogP3.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
CID 16615764
N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 39833657
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16673059
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
3-oxo-N-(5-pyrimidin-5-yl-2-pyridinyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 167959495
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 42959937) is N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2cccnc12.
What is the InChIKey of N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is YKTZIBZBYIODPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S/c1-10-7-13(19)18(12-3-2-6-20-17(10)12)22-27(24,25)11-4-5-15-14(8-11)21-16(23)9-26-15/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 403.85 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 42959937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).