N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide

C20H24N2O2S — CID 162668640

IUPACN-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide
SMILESCC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc21
InChIInChI=1S/C20H24N2O2S/c1-14(2)10-19(23)22-8-3-4-16-11-15(5-6-18(16)22)12-21-20(24)17-7-9-25-13-17/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3,(H,21,24)
InChIKeyGMEPSDDJIZYOME-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.00
Rot. Bonds5

About N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide

N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide (PubChem CID 162668640) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide
PubChem CID162668640
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide
SMILESCC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc21
InChIInChI=1S/C20H24N2O2S/c1-14(2)10-19(23)22-8-3-4-16-11-15(5-6-18(16)22)12-21-20(24)17-7-9-25-13-17/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3,(H,21,24)
InChIKeyGMEPSDDJIZYOME-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide (CID 162668640) is N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide is CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc21.
What is the InChIKey of N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide?
The InChIKey is GMEPSDDJIZYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(2)10-19(23)22-8-3-4-16-11-15(5-6-18(16)22)12-21-20(24)17-7-9-25-13-17/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide?
N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 162668640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).