N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride

C18H19ClN2 — CID 56728827

IUPACN-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
SMILESCc1cccc(Nc2cc(C)c3ccccc3n2)c1C.Cl
InChIInChI=1S/C18H18N2.ClH/c1-12-7-6-10-16(14(12)3)19-18-11-13(2)15-8-4-5-9-17(15)20-18;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyNNSSGSUBAOWPLD-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.33
Rot. Bonds2

About N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride

N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride (PubChem CID 56728827) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
PubChem CID56728827
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC NameN-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
SMILESCc1cccc(Nc2cc(C)c3ccccc3n2)c1C.Cl
InChIInChI=1S/C18H18N2.ClH/c1-12-7-6-10-16(14(12)3)19-18-11-13(2)15-8-4-5-9-17(15)20-18;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyNNSSGSUBAOWPLD-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride (CID 56728827) is N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride is Cc1cccc(Nc2cc(C)c3ccccc3n2)c1C.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride?
The InChIKey is NNSSGSUBAOWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.ClH/c1-12-7-6-10-16(14(12)3)19-18-11-13(2)15-8-4-5-9-17(15)20-18;/h4-11H,1-3H3,(H,19,20);1H.
What are the key properties of N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride?
N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 56728827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).