1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

C18H24N2O2S — CID 131657036

IUPAC1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1ccc(C)s1)CC2
InChIInChI=1S/C18H24N2O2S/c1-13-3-6-16(23-13)12-19-15-5-7-17-14(11-15)4-8-18(21)20(17)9-10-22-2/h3-4,6,8,15,19H,5,7,9-12H2,1-2H3
InChIKeyWDUKOSYNLTXJAM-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.51
Rot. Bonds6

About 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 131657036) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID131657036
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1ccc(C)s1)CC2
InChIInChI=1S/C18H24N2O2S/c1-13-3-6-16(23-13)12-19-15-5-7-17-14(11-15)4-8-18(21)20(17)9-10-22-2/h3-4,6,8,15,19H,5,7,9-12H2,1-2H3
InChIKeyWDUKOSYNLTXJAM-UHFFFAOYSA-N
XLogP2.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131642052
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131682929
(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464143
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
(6R)-6-(furan-3-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97464191
(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97390003
2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide
CID 118742487
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 131657036) is 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)CC(NCc1ccc(C)s1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is WDUKOSYNLTXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-3-6-16(23-13)12-19-15-5-7-17-14(11-15)4-8-18(21)20(17)9-10-22-2/h3-4,6,8,15,19H,5,7,9-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 332.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 131657036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).