6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C17H20N2OS — CID 43490884

IUPAC6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNC(c1ccc2c(c1)CCC(=O)N2)c1ccc(C)s1
InChIInChI=1S/C17H20N2OS/c1-3-18-17(15-8-4-11(2)21-15)13-5-7-14-12(10-13)6-9-16(20)19-14/h4-5,7-8,10,17-18H,3,6,9H2,1-2H3,(H,19,20)
InChIKeyQDKDZZTYWBCHBV-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.64
Rot. Bonds4

About 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43490884) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43490884
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNC(c1ccc2c(c1)CCC(=O)N2)c1ccc(C)s1
InChIInChI=1S/C17H20N2OS/c1-3-18-17(15-8-4-11(2)21-15)13-5-7-14-12(10-13)6-9-16(20)19-14/h4-5,7-8,10,17-18H,3,6,9H2,1-2H3,(H,19,20)
InChIKeyQDKDZZTYWBCHBV-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[bromo-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096318
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895
7-[chloro-(5-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085236
5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 62277062
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
CID 43491531
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79996839
6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114825073
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 43490884) is 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is CCNC(c1ccc2c(c1)CCC(=O)N2)c1ccc(C)s1.
What is the InChIKey of 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QDKDZZTYWBCHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-18-17(15-8-4-11(2)21-15)13-5-7-14-12(10-13)6-9-16(20)19-14/h4-5,7-8,10,17-18H,3,6,9H2,1-2H3,(H,19,20).
What are the key properties of 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 300.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43490884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).