N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide

C19H18N2OS — CID 154747549

IUPACN-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
SMILESCSCCc1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H18N2OS/c1-23-13-11-14-7-9-16(10-8-14)21-19(22)17-6-2-4-15-5-3-12-20-18(15)17/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyMFJWIHMQAJJFPA-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.39
Rot. Bonds5

About N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide

N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide (PubChem CID 154747549) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
PubChem CID154747549
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
SMILESCSCCc1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H18N2OS/c1-23-13-11-14-7-9-16(10-8-14)21-19(22)17-6-2-4-15-5-3-12-20-18(15)17/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyMFJWIHMQAJJFPA-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
CID 114307205
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 32944118
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide (CID 154747549) is N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide is CSCCc1ccc(NC(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is MFJWIHMQAJJFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-23-13-11-14-7-9-16(10-8-14)21-19(22)17-6-2-4-15-5-3-12-20-18(15)17/h2-10,12H,11,13H2,1H3,(H,21,22).
What are the key properties of N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide?
N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 154747549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).