N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C16H18N4O4S — CID 154758669

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN1CCCc2ccc(S(=O)(=O)NC(=O)c3cc4n(n3)CCO4)cc21
InChIInChI=1S/C16H18N4O4S/c1-19-6-2-3-11-4-5-12(9-14(11)19)25(22,23)18-16(21)13-10-15-20(17-13)7-8-24-15/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyGBFLDJSOLBSASJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.78
Rot. Bonds3

About N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 154758669) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID154758669
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN1CCCc2ccc(S(=O)(=O)NC(=O)c3cc4n(n3)CCO4)cc21
InChIInChI=1S/C16H18N4O4S/c1-19-6-2-3-11-4-5-12(9-14(11)19)25(22,23)18-16(21)13-10-15-20(17-13)7-8-24-15/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyGBFLDJSOLBSASJ-UHFFFAOYSA-N
XLogP0.78
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75398819
3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 110729158
N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959836
N-[(2-pentyl-1,3-dihydroisoindol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 154773254
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110639743
N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide
CID 140520706
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 154758669) is N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CN1CCCc2ccc(S(=O)(=O)NC(=O)c3cc4n(n3)CCO4)cc21.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is GBFLDJSOLBSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-19-6-2-3-11-4-5-12(9-14(11)19)25(22,23)18-16(21)13-10-15-20(17-13)7-8-24-15/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,21).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 154758669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).