(2-methylthiophen-3-yl)-quinolin-6-ylmethanone

C15H11NOS — CID 102830747

IUPAC(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
SMILESCc1sccc1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H11NOS/c1-10-13(6-8-18-10)15(17)12-4-5-14-11(9-12)3-2-7-16-14/h2-9H,1H3
InChIKeyKTIKOZXHGDMQJH-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.84
Rot. Bonds2

About (2-methylthiophen-3-yl)-quinolin-6-ylmethanone

(2-methylthiophen-3-yl)-quinolin-6-ylmethanone (PubChem CID 102830747) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
PubChem CID102830747
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
SMILESCc1sccc1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H11NOS/c1-10-13(6-8-18-10)15(17)12-4-5-14-11(9-12)3-2-7-16-14/h2-9H,1H3
InChIKeyKTIKOZXHGDMQJH-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
ethane;quinoline-6-carboxylic acid
CID 91364452
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105121566
[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
CID 102839616
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-quinolin-6-ylmethanone?
The IUPAC name of (2-methylthiophen-3-yl)-quinolin-6-ylmethanone (CID 102830747) is (2-methylthiophen-3-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (2-methylthiophen-3-yl)-quinolin-6-ylmethanone is Cc1sccc1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of (2-methylthiophen-3-yl)-quinolin-6-ylmethanone?
The InChIKey is KTIKOZXHGDMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-13(6-8-18-10)15(17)12-4-5-14-11(9-12)3-2-7-16-14/h2-9H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-quinolin-6-ylmethanone?
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone has a molecular weight of 253.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 102830747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).