N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide

C17H22N2O4S — CID 110623335

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C17H22N2O4S/c1-24(22,23)10-8-16(20)18-14-7-6-12-3-2-9-19(15(12)11-14)17(21)13-4-5-13/h6-7,11,13H,2-5,8-10H2,1H3,(H,18,20)
InChIKeyRZYQQVBYNXHSCL-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.75
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide (PubChem CID 110623335) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
PubChem CID110623335
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C17H22N2O4S/c1-24(22,23)10-8-16(20)18-14-7-6-12-3-2-9-19(15(12)11-14)17(21)13-4-5-13/h6-7,11,13H,2-5,8-10H2,1H3,(H,18,20)
InChIKeyRZYQQVBYNXHSCL-UHFFFAOYSA-N
XLogP1.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 7586187
3-(1,3-benzodioxol-5-yl)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 110623348
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
CID 7517256
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762116

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide (CID 110623335) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide?
The InChIKey is RZYQQVBYNXHSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-24(22,23)10-8-16(20)18-14-7-6-12-3-2-9-19(15(12)11-14)17(21)13-4-5-13/h6-7,11,13H,2-5,8-10H2,1H3,(H,18,20).
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide has a molecular weight of 350.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).