N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide

C19H18N2OS — CID 9205470

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H18N2OS/c1-21(13-14-8-10-16(23-2)11-9-14)19(22)17-7-3-5-15-6-4-12-20-18(15)17/h3-12H,13H2,1-2H3
InChIKeyFQQKTLURBUMFIO-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.23
Rot. Bonds4

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide (PubChem CID 9205470) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
PubChem CID9205470
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H18N2OS/c1-21(13-14-8-10-16(23-2)11-9-14)19(22)17-7-3-5-15-6-4-12-20-18(15)17/h3-12H,13H2,1-2H3
InChIKeyFQQKTLURBUMFIO-UHFFFAOYSA-N
XLogP4.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
CID 9453515
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 31362954
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide (CID 9205470) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide is CSc1ccc(CN(C)C(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide?
The InChIKey is FQQKTLURBUMFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-21(13-14-8-10-16(23-2)11-9-14)19(22)17-7-3-5-15-6-4-12-20-18(15)17/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide is sourced from PubChem (CID 9205470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).