1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one

C18H24N2OS — CID 10064373

IUPAC1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCCc1cccs1)CCC2
InChIInChI=1S/C18H24N2OS/c1-2-12-20-17-7-3-6-16(15(17)8-9-18(20)21)19-11-10-14-5-4-13-22-14/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3
InChIKeyOULZWYCPBSYAPA-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.53
Rot. Bonds6

About 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10064373) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10064373
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCCc1cccs1)CCC2
InChIInChI=1S/C18H24N2OS/c1-2-12-20-17-7-3-6-16(15(17)8-9-18(20)21)19-11-10-14-5-4-13-22-14/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3
InChIKeyOULZWYCPBSYAPA-UHFFFAOYSA-N
XLogP3.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2E)-N-(4-phenylbutan-2-yl)-3-(thiophen-2-yl)prop-2-enamide
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N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-(thiophen-2-ylmethyl)-1,6-dihydropyridine-3-carboxamide
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CID 4654599
(E)-N-butan-2-yl-3-thiophen-2-ylprop-2-enamide
CID 6372746
(E)-but-2-enedioic acid;1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118718308
N-(2-Methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienamide
CID 71363133
1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 10064373) is 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one is CCCn1c2c(ccc1=O)C(NCCc1cccs1)CCC2.
What is the InChIKey of 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OULZWYCPBSYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-2-12-20-17-7-3-6-16(15(17)8-9-18(20)21)19-11-10-14-5-4-13-22-14/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 316.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10064373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).