N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide

C20H19N3O4S — CID 71806046

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C20H19N3O4S/c1-14-18(13-21-27-14)20(24)22-16-10-9-15-6-5-11-23(19(15)12-16)28(25,26)17-7-3-2-4-8-17/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,22,24)
InChIKeyOZAKJYIHWKCBTM-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71806046) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71806046
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C20H19N3O4S/c1-14-18(13-21-27-14)20(24)22-16-10-9-15-6-5-11-23(19(15)12-16)28(25,26)17-7-3-2-4-8-17/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,22,24)
InChIKeyOZAKJYIHWKCBTM-UHFFFAOYSA-N
XLogP3.38
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71806046) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OZAKJYIHWKCBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-18(13-21-27-14)20(24)22-16-10-9-15-6-5-11-23(19(15)12-16)28(25,26)17-7-3-2-4-8-17/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,22,24).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).