6-chloro-3-heptyl-4-phenylquinolin-2-amine

C22H25ClN2 — CID 174265531

IUPAC6-chloro-3-heptyl-4-phenylquinolin-2-amine
SMILESCCCCCCCc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C22H25ClN2/c1-2-3-4-5-9-12-18-21(16-10-7-6-8-11-16)19-15-17(23)13-14-20(19)25-22(18)24/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H2,24,25)
InChIKeyMZSQGBYRFUQJLL-UHFFFAOYSA-N
MW352.91 g/mol
LogP6.65
Rot. Bonds7

About 6-chloro-3-heptyl-4-phenylquinolin-2-amine

6-chloro-3-heptyl-4-phenylquinolin-2-amine (PubChem CID 174265531) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 6-chloro-3-heptyl-4-phenylquinolin-2-amine.

Molecular Properties

Compound Name6-chloro-3-heptyl-4-phenylquinolin-2-amine
PubChem CID174265531
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name6-chloro-3-heptyl-4-phenylquinolin-2-amine
SMILESCCCCCCCc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C22H25ClN2/c1-2-3-4-5-9-12-18-21(16-10-7-6-8-11-16)19-15-17(23)13-14-20(19)25-22(18)24/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H2,24,25)
InChIKeyMZSQGBYRFUQJLL-UHFFFAOYSA-N
XLogP6.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-3-heptyl-4-phenylquinolin-2-amine 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

6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
CID 126622258
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
4-chloro-2,3-didecylquinoline
CID 141080010
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238
3-(3-amino-6-chloro-4-phenylquinolin-2-yl)pentan-3-ol
CID 132590343
6-(2,4-dichlorophenoxy)-5-octyl-2-propylpyrimidin-4-amine
CID 154112431
2-butyl-6-chloro-4-methylquinoline
CID 23624331
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-butyl-2-methyl-3,4-diphenylquinoline
CID 134847641
3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-heptyl-4-phenylquinolin-2-amine?
The IUPAC name of 6-chloro-3-heptyl-4-phenylquinolin-2-amine (CID 174265531) is 6-chloro-3-heptyl-4-phenylquinolin-2-amine.
What is the SMILES notation for 6-chloro-3-heptyl-4-phenylquinolin-2-amine?
The canonical SMILES for 6-chloro-3-heptyl-4-phenylquinolin-2-amine is CCCCCCCc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 6-chloro-3-heptyl-4-phenylquinolin-2-amine?
The InChIKey is MZSQGBYRFUQJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-2-3-4-5-9-12-18-21(16-10-7-6-8-11-16)19-15-17(23)13-14-20(19)25-22(18)24/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H2,24,25).
What are the key properties of 6-chloro-3-heptyl-4-phenylquinolin-2-amine?
6-chloro-3-heptyl-4-phenylquinolin-2-amine has a molecular weight of 352.91 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-heptyl-4-phenylquinolin-2-amine is sourced from PubChem (CID 174265531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).