N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide

C15H18N4O3S — CID 71878691

IUPACN-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H18N4O3S/c20-15(8-12-18-10-4-9-16-18)17-23(21,22)19-11-3-6-13-5-1-2-7-14(13)19/h1-2,4-5,7,9-10H,3,6,8,11-12H2,(H,17,20)
InChIKeyQWPXJZBFLTTYHB-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.09
Rot. Bonds5

About N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide

N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide (PubChem CID 71878691) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
PubChem CID71878691
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H18N4O3S/c20-15(8-12-18-10-4-9-16-18)17-23(21,22)19-11-3-6-13-5-1-2-7-14(13)19/h1-2,4-5,7,9-10H,3,6,8,11-12H2,(H,17,20)
InChIKeyQWPXJZBFLTTYHB-UHFFFAOYSA-N
XLogP1.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 56801987
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
1-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78889850
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
CID 110342855
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865660

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide (CID 71878691) is N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NS(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is QWPXJZBFLTTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-15(8-12-18-10-4-9-16-18)17-23(21,22)19-11-3-6-13-5-1-2-7-14(13)19/h1-2,4-5,7,9-10H,3,6,8,11-12H2,(H,17,20).
What are the key properties of N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide?
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 334.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 71878691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).