1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one

C17H20N2OS — CID 61472977

IUPAC1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(C(C)NC2CC(=O)N(C)c3ccccc32)s1
InChIInChI=1S/C17H20N2OS/c1-11-8-9-16(21-11)12(2)18-14-10-17(20)19(3)15-7-5-4-6-13(14)15/h4-9,12,14,18H,10H2,1-3H3
InChIKeyBLOWVQUDPBWHAE-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.81
Rot. Bonds3

About 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one

1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one (PubChem CID 61472977) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one
PubChem CID61472977
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(C(C)NC2CC(=O)N(C)c3ccccc32)s1
InChIInChI=1S/C17H20N2OS/c1-11-8-9-16(21-11)12(2)18-14-10-17(20)19(3)15-7-5-4-6-13(14)15/h4-9,12,14,18H,10H2,1-3H3
InChIKeyBLOWVQUDPBWHAE-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one (CID 61472977) is 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one is Cc1ccc(C(C)NC2CC(=O)N(C)c3ccccc32)s1.
What is the InChIKey of 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one?
The InChIKey is BLOWVQUDPBWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-8-9-16(21-11)12(2)18-14-10-17(20)19(3)15-7-5-4-6-13(14)15/h4-9,12,14,18H,10H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one?
1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one has a molecular weight of 300.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61472977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).