N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C18H22N2O4S — CID 43017160

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)o1
InChIInChI=1S/C18H22N2O4S/c1-13-6-8-16(24-13)12-19(2)18(21)15-7-9-17-14(11-15)5-4-10-20(17)25(3,22)23/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyWYSAXRJIUDTLBF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.57
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 43017160) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID43017160
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)o1
InChIInChI=1S/C18H22N2O4S/c1-13-6-8-16(24-13)12-19(2)18(21)15-7-9-17-14(11-15)5-4-10-20(17)25(3,22)23/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyWYSAXRJIUDTLBF-UHFFFAOYSA-N
XLogP2.57
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31151601
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86912091
(2S)-2-methyl-3-[methyl-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoic acid
CID 125145565
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25471969
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43514684
N-ethyl-1-methylsulfonyl-N-phenyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86906799
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-[(4-cyanophenyl)methyl]-1-methylsulfonyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78853351
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 43017160) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is WYSAXRJIUDTLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-6-8-16(24-13)12-19(2)18(21)15-7-9-17-14(11-15)5-4-10-20(17)25(3,22)23/h6-9,11H,4-5,10,12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 43017160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).