2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride

C21H19ClN2 — CID 75366848

IUPAC2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
SMILESCc1ccc(Nc2cc(C)[nH+]c3c2ccc2ccccc23)cc1.[Cl-]
InChIInChI=1S/C21H18N2.ClH/c1-14-7-10-17(11-8-14)23-20-13-15(2)22-21-18-6-4-3-5-16(18)9-12-19(20)21;/h3-13H,1-2H3,(H,22,23);1H
InChIKeyYWTRDYMCVJTFQS-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride

2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride (PubChem CID 75366848) has the molecular formula C21H19ClN2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
PubChem CID75366848
Molecular FormulaC21H19ClN2
Molecular Weight334.85 g/mol
Exact Mass334.12
IUPAC Name2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
SMILESCc1ccc(Nc2cc(C)[nH+]c3c2ccc2ccccc23)cc1.[Cl-]
InChIInChI=1S/C21H18N2.ClH/c1-14-7-10-17(11-8-14)23-20-13-15(2)22-21-18-6-4-3-5-16(18)9-12-19(20)21;/h3-13H,1-2H3,(H,22,23);1H
InChIKeyYWTRDYMCVJTFQS-UHFFFAOYSA-N
XLogP2.17
TPSA26.17 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-methylbenzo[h]quinolin-1-ium-4-amine chloride
CID 44657074
4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
CID 1391620
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 1401355
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzo[h]quinolin-1-ium-4-amine
CID 6924867
2-(4-methylanilino)naphthalene-1-carbaldehyde
CID 135023632
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 4872024
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
CID 150848719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride?
The IUPAC name of 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride (CID 75366848) is 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride is Cc1ccc(Nc2cc(C)[nH+]c3c2ccc2ccccc23)cc1.[Cl-].
What is the InChIKey of 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride?
The InChIKey is YWTRDYMCVJTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2.ClH/c1-14-7-10-17(11-8-14)23-20-13-15(2)22-21-18-6-4-3-5-16(18)9-12-19(20)21;/h3-13H,1-2H3,(H,22,23);1H.
What are the key properties of 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride?
2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride has a molecular weight of 334.85 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride is sourced from PubChem (CID 75366848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).