1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone

C16H13NOS — CID 81221087

IUPAC1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
SMILESCc1ccc2cc(C(=O)Cc3cccs3)ccc2n1
InChIInChI=1S/C16H13NOS/c1-11-4-5-12-9-13(6-7-15(12)17-11)16(18)10-14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeySGEOLDKYNZXQDY-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone

1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone (PubChem CID 81221087) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
PubChem CID81221087
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
SMILESCc1ccc2cc(C(=O)Cc3cccs3)ccc2n1
InChIInChI=1S/C16H13NOS/c1-11-4-5-12-9-13(6-7-15(12)17-11)16(18)10-14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeySGEOLDKYNZXQDY-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63554522
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone
CID 146006031
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
CID 116549997
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
CID 105379249
1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008691
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone (CID 81221087) is 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone is Cc1ccc2cc(C(=O)Cc3cccs3)ccc2n1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone?
The InChIKey is SGEOLDKYNZXQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-4-5-12-9-13(6-7-15(12)17-11)16(18)10-14-3-2-8-19-14/h2-9H,10H2,1H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone?
1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 81221087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).