6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H22N4O4S — CID 46979230

IUPAC6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c2c(C)noc2n1
InChIInChI=1S/C20H22N4O4S/c1-4-14-10-16(18-12(2)23-28-20(18)22-14)19(25)21-15-8-7-13-6-5-9-24(17(13)11-15)29(3,26)27/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,25)
InChIKeyHIXSAAOFVGONOU-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.06
Rot. Bonds4

About 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46979230) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46979230
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c2c(C)noc2n1
InChIInChI=1S/C20H22N4O4S/c1-4-14-10-16(18-12(2)23-28-20(18)22-14)19(25)21-15-8-7-13-6-5-9-24(17(13)11-15)29(3,26)27/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,25)
InChIKeyHIXSAAOFVGONOU-UHFFFAOYSA-N
XLogP3.06
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 99507210
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 110623274
N-(2,2-diethoxyethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688082
5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzamide
CID 7517828
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812701
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46979230) is 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c2c(C)noc2n1.
What is the InChIKey of 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HIXSAAOFVGONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-4-14-10-16(18-12(2)23-28-20(18)22-14)19(25)21-15-8-7-13-6-5-9-24(17(13)11-15)29(3,26)27/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,25).
What are the key properties of 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46979230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).