6-chloro-2-methyl-4-phenylquinolin-1-ium

C16H13ClN+ — CID 4742936

IUPAC6-chloro-2-methyl-4-phenylquinolin-1-ium
SMILESCc1cc(-c2ccccc2)c2cc(Cl)ccc2[nH+]1
InChIInChI=1S/C16H12ClN/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17)7-8-16(15)18-11/h2-10H,1H3/p+1
InChIKeyNQIDRVKTLRTLLV-UHFFFAOYSA-O
MW254.74 g/mol
LogP4.28
Rot. Bonds1

About 6-chloro-2-methyl-4-phenylquinolin-1-ium

6-chloro-2-methyl-4-phenylquinolin-1-ium (PubChem CID 4742936) has the molecular formula C16H13ClN+ and a molecular weight of 254.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-phenylquinolin-1-ium.

Molecular Properties

Compound Name6-chloro-2-methyl-4-phenylquinolin-1-ium
PubChem CID4742936
Molecular FormulaC16H13ClN+
Molecular Weight254.74 g/mol
Exact Mass254.07
IUPAC Name6-chloro-2-methyl-4-phenylquinolin-1-ium
SMILESCc1cc(-c2ccccc2)c2cc(Cl)ccc2[nH+]1
InChIInChI=1S/C16H12ClN/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17)7-8-16(15)18-11/h2-10H,1H3/p+1
InChIKeyNQIDRVKTLRTLLV-UHFFFAOYSA-O
XLogP4.28
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-chloro-2-methyl-4-phenylquinolin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-1,2-dimethyl-4-phenylnaphthalene
CID 102481618
2-chloro-6,12-diphenylchrysene
CID 58501171
6-chloro-2-methyl-4-phenylnaphthalen-1-ol
CID 11054690
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine
CID 6927112
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
1-[3-[(6-chloro-2-methylquinolin-1-ium-4-yl)amino]phenyl]ethanone
CID 3646531
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
6-chloro-2-methyl-4-phenylisoquinolin-1-one
CID 139653195

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-phenylquinolin-1-ium?
The IUPAC name of 6-chloro-2-methyl-4-phenylquinolin-1-ium (CID 4742936) is 6-chloro-2-methyl-4-phenylquinolin-1-ium.
What is the SMILES notation for 6-chloro-2-methyl-4-phenylquinolin-1-ium?
The canonical SMILES for 6-chloro-2-methyl-4-phenylquinolin-1-ium is Cc1cc(-c2ccccc2)c2cc(Cl)ccc2[nH+]1.
What is the InChIKey of 6-chloro-2-methyl-4-phenylquinolin-1-ium?
The InChIKey is NQIDRVKTLRTLLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12ClN/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17)7-8-16(15)18-11/h2-10H,1H3/p+1.
What are the key properties of 6-chloro-2-methyl-4-phenylquinolin-1-ium?
6-chloro-2-methyl-4-phenylquinolin-1-ium has a molecular weight of 254.74 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-phenylquinolin-1-ium is sourced from PubChem (CID 4742936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).