1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

C20H26N2O3 — CID 131642052

IUPAC1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1ccc(OC)cc1)CC2
InChIInChI=1S/C20H26N2O3/c1-24-12-11-22-19-9-6-17(13-16(19)5-10-20(22)23)21-14-15-3-7-18(25-2)8-4-15/h3-5,7-8,10,17,21H,6,9,11-14H2,1-2H3
InChIKeyGPNDCOXMMKUDFE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds7

About 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 131642052) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID131642052
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCc1ccc(OC)cc1)CC2
InChIInChI=1S/C20H26N2O3/c1-24-12-11-22-19-9-6-17(13-16(19)5-10-20(22)23)21-14-15-3-7-18(25-2)8-4-15/h3-5,7-8,10,17,21H,6,9,11-14H2,1-2H3
InChIKeyGPNDCOXMMKUDFE-UHFFFAOYSA-N
XLogP2.15
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131657036
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131682929
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464038
(6R)-6-(furan-3-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97464191
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide
CID 118742487
1-(cyclopropylmethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155862722
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464143
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 131642052) is 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)CC(NCc1ccc(OC)cc1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GPNDCOXMMKUDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-12-11-22-19-9-6-17(13-16(19)5-10-20(22)23)21-14-15-3-7-18(25-2)8-4-15/h3-5,7-8,10,17,21H,6,9,11-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 131642052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).