N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H24N2O5S — CID 78832998

IUPACN-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NCCCOCc3ccco3)ccc21
InChIInChI=1S/C19H24N2O5S/c1-27(23,24)21-10-2-5-15-13-16(7-8-18(15)21)19(22)20-9-4-11-25-14-17-6-3-12-26-17/h3,6-8,12-13H,2,4-5,9-11,14H2,1H3,(H,20,22)
InChIKeyOXVISVLEEGLCJG-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.33
Rot. Bonds8

About N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 78832998) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID78832998
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NCCCOCc3ccco3)ccc21
InChIInChI=1S/C19H24N2O5S/c1-27(23,24)21-10-2-5-15-13-16(7-8-18(15)21)19(22)20-9-4-11-25-14-17-6-3-12-26-17/h3,6-8,12-13H,2,4-5,9-11,14H2,1H3,(H,20,22)
InChIKeyOXVISVLEEGLCJG-UHFFFAOYSA-N
XLogP2.33
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-[4-(4-ethylpiperazin-1-yl)butyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78871163
N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78848292
N-(3-cyclopentylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38857095
1-methylsulfonyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 46476297
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27757054
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 78832998) is N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CS(=O)(=O)N1CCCc2cc(C(=O)NCCCOCc3ccco3)ccc21.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is OXVISVLEEGLCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-27(23,24)21-10-2-5-15-13-16(7-8-18(15)21)19(22)20-9-4-11-25-14-17-6-3-12-26-17/h3,6-8,12-13H,2,4-5,9-11,14H2,1H3,(H,20,22).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 78832998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).