2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride

C18H18ClN — CID 47104793

IUPAC2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
SMILESCc1ccc(-c2cc(C)c3ccccc3n2)cc1C.Cl
InChIInChI=1S/C18H17N.ClH/c1-12-8-9-15(10-13(12)2)18-11-14(3)16-6-4-5-7-17(16)19-18;/h4-11H,1-3H3;1H
InChIKeyIISLSMXNBWBIRM-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.25
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride

2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride (PubChem CID 47104793) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
PubChem CID47104793
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
SMILESCc1ccc(-c2cc(C)c3ccccc3n2)cc1C.Cl
InChIInChI=1S/C18H17N.ClH/c1-12-8-9-15(10-13(12)2)18-11-14(3)16-6-4-5-7-17(16)19-18;/h4-11H,1-3H3;1H
InChIKeyIISLSMXNBWBIRM-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-iodophenyl)-4-methylquinoline
CID 8966469
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
CID 42887250
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride (CID 47104793) is 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride is Cc1ccc(-c2cc(C)c3ccccc3n2)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride?
The InChIKey is IISLSMXNBWBIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.ClH/c1-12-8-9-15(10-13(12)2)18-11-14(3)16-6-4-5-7-17(16)19-18;/h4-11H,1-3H3;1H.
What are the key properties of 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride?
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride is sourced from PubChem (CID 47104793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).