1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one

C18H22N2OS — CID 118744766

IUPAC1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1ccc2c(n1CC1CC1)CCC(NCc1cccs1)C2
InChIInChI=1S/C18H22N2OS/c21-18-8-5-14-10-15(19-11-16-2-1-9-22-16)6-7-17(14)20(18)12-13-3-4-13/h1-2,5,8-9,13,15,19H,3-4,6-7,10-12H2
InChIKeyWASSQSYBSAHBQU-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.97
Rot. Bonds5

About 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118744766) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118744766
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1ccc2c(n1CC1CC1)CCC(NCc1cccs1)C2
InChIInChI=1S/C18H22N2OS/c21-18-8-5-14-10-15(19-11-16-2-1-9-22-16)6-7-17(14)20(18)12-13-3-4-13/h1-2,5,8-9,13,15,19H,3-4,6-7,10-12H2
InChIKeyWASSQSYBSAHBQU-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
(E)-but-2-enedioic acid;1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118718308
1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide
CID 42948266
2-hydroxy-6-methyl-N-[2-(thiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51055031
1-methyl-N-(3-methyl-1-thiophen-2-ylbutyl)-2-oxopyridine-4-carboxamide
CID 75461815
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-3-ylacetamide
CID 118738997
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 118739005
6-oxo-N-(thiophen-2-ylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 2107963
(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide
CID 2329296
1-methyl-2-oxo-N-(1-(thiophen-2-yl)propan-2-yl)-1,2-dihydropyridine-3-carboxamide
CID 49747841

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 118744766) is 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one is O=c1ccc2c(n1CC1CC1)CCC(NCc1cccs1)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is WASSQSYBSAHBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18-8-5-14-10-15(19-11-16-2-1-9-22-16)6-7-17(14)20(18)12-13-3-4-13/h1-2,5,8-9,13,15,19H,3-4,6-7,10-12H2.
What are the key properties of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 314.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118744766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).