5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole

C17H16N2O3S — CID 110760559

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2o1
InChIInChI=1S/C17H16N2O3S/c1-12-18-15-11-14(8-9-17(15)22-12)23(20,21)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyHQHGVTQCGKRUKZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.28
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole

5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole (PubChem CID 110760559) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole
PubChem CID110760559
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2o1
InChIInChI=1S/C17H16N2O3S/c1-12-18-15-11-14(8-9-17(15)22-12)23(20,21)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyHQHGVTQCGKRUKZ-UHFFFAOYSA-N
XLogP3.28
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
CID 30713933
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17264573
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole (CID 110760559) is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole is Cc1nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2o1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole?
The InChIKey is HQHGVTQCGKRUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-18-15-11-14(8-9-17(15)22-12)23(20,21)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole?
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole has a molecular weight of 328.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 110760559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).