N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H21N3O4S — CID 110326382

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1cc2cc(CCNS(=O)(=O)c3c(C)noc3C)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H21N3O4S/c1-10-7-15-9-14(18(22)20-16(15)8-11(10)2)5-6-19-26(23,24)17-12(3)21-25-13(17)4/h7-9,19H,5-6H2,1-4H3,(H,20,22)
InChIKeyYPGMZGPPVLTTJF-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110326382) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110326382
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1cc2cc(CCNS(=O)(=O)c3c(C)noc3C)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H21N3O4S/c1-10-7-15-9-14(18(22)20-16(15)8-11(10)2)5-6-19-26(23,24)17-12(3)21-25-13(17)4/h7-9,19H,5-6H2,1-4H3,(H,20,22)
InChIKeyYPGMZGPPVLTTJF-UHFFFAOYSA-N
XLogP2.27
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110789514
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 62040309
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 53090379
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110731554
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110326382) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1cc2cc(CCNS(=O)(=O)c3c(C)noc3C)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YPGMZGPPVLTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-10-7-15-9-14(18(22)20-16(15)8-11(10)2)5-6-19-26(23,24)17-12(3)21-25-13(17)4/h7-9,19H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110326382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).