6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C16H18N2O2S — CID 81122117

IUPAC6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1ccsc1C(N)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H18N2O2S/c1-18-12-5-3-11(9-10(12)4-6-14(18)19)15(17)16-13(20-2)7-8-21-16/h3,5,7-9,15H,4,6,17H2,1-2H3
InChIKeyKAYBVTYDQNAQKF-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.71
Rot. Bonds3

About 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 81122117) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID81122117
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1ccsc1C(N)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H18N2O2S/c1-18-12-5-3-11(9-10(12)4-6-14(18)19)15(17)16-13(20-2)7-8-21-16/h3,5,7-9,15H,4,6,17H2,1-2H3
InChIKeyKAYBVTYDQNAQKF-UHFFFAOYSA-N
XLogP2.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80641053
6-[(3-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80642258
6-[bromo-(3-bromothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63797858
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 79975047
8-[amino-(3-methoxythiophen-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525588
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 81122117) is 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is COc1ccsc1C(N)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is KAYBVTYDQNAQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18-12-5-3-11(9-10(12)4-6-14(18)19)15(17)16-13(20-2)7-8-21-16/h3,5,7-9,15H,4,6,17H2,1-2H3.
What are the key properties of 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 302.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 81122117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).