(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone

C15H10ClNOS — CID 103407440

IUPAC(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
SMILESCc1csc(C(=O)c2cnc3ccccc3c2)c1Cl
InChIInChI=1S/C15H10ClNOS/c1-9-8-19-15(13(9)16)14(18)11-6-10-4-2-3-5-12(10)17-7-11/h2-8H,1H3
InChIKeyPRFBZRNTDXCOBM-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.49
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone

(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone (PubChem CID 103407440) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
PubChem CID103407440
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
SMILESCc1csc(C(=O)c2cnc3ccccc3c2)c1Cl
InChIInChI=1S/C15H10ClNOS/c1-9-8-19-15(13(9)16)14(18)11-6-10-4-2-3-5-12(10)17-7-11/h2-8H,1H3
InChIKeyPRFBZRNTDXCOBM-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 114963054
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
CID 79787017
(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
CID 114963114
(2-methylfuran-3-yl)-quinolin-3-ylmethanone
CID 104789375
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinoline-3-carboxylate
CID 4608508
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
CID 114963086
CID 88968554
CID 88968554
quinoline-3-carboxamide;hydrofluoride
CID 174911514

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone (CID 103407440) is (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone is Cc1csc(C(=O)c2cnc3ccccc3c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone?
The InChIKey is PRFBZRNTDXCOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c1-9-8-19-15(13(9)16)14(18)11-6-10-4-2-3-5-12(10)17-7-11/h2-8H,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone?
(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone has a molecular weight of 287.77 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 103407440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).