2-chloro-8-phenyl-3-propylquinoline

C18H16ClN — CID 63531212

IUPAC2-chloro-8-phenyl-3-propylquinoline
SMILESCCCc1cc2cccc(-c3ccccc3)c2nc1Cl
InChIInChI=1S/C18H16ClN/c1-2-7-15-12-14-10-6-11-16(17(14)20-18(15)19)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3
InChIKeyLVPZTZWMCHYKBL-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.51
Rot. Bonds3

About 2-chloro-8-phenyl-3-propylquinoline

2-chloro-8-phenyl-3-propylquinoline (PubChem CID 63531212) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-8-phenyl-3-propylquinoline.

Molecular Properties

Compound Name2-chloro-8-phenyl-3-propylquinoline
PubChem CID63531212
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name2-chloro-8-phenyl-3-propylquinoline
SMILESCCCc1cc2cccc(-c3ccccc3)c2nc1Cl
InChIInChI=1S/C18H16ClN/c1-2-7-15-12-14-10-6-11-16(17(14)20-18(15)19)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3
InChIKeyLVPZTZWMCHYKBL-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,8-dichloro-3-propylquinoline
CID 63531217
3-ethyl-8-phenylquinolin-2-amine
CID 55175955
(3-ethyl-8-phenylquinolin-2-yl)hydrazine
CID 63524029
2-chloro-7-fluoro-8-methyl-3-propylquinoline
CID 63530367
1-propylazulene
CID 10397225
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873
3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
CID 170866831
N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine
CID 63525584
4-propylacridine
CID 609894
8-chloro-3-ethyl-2-propylquinoline
CID 12935082
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-phenyl-3-propylquinoline?
The IUPAC name of 2-chloro-8-phenyl-3-propylquinoline (CID 63531212) is 2-chloro-8-phenyl-3-propylquinoline.
What is the SMILES notation for 2-chloro-8-phenyl-3-propylquinoline?
The canonical SMILES for 2-chloro-8-phenyl-3-propylquinoline is CCCc1cc2cccc(-c3ccccc3)c2nc1Cl.
What is the InChIKey of 2-chloro-8-phenyl-3-propylquinoline?
The InChIKey is LVPZTZWMCHYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-2-7-15-12-14-10-6-11-16(17(14)20-18(15)19)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3.
What are the key properties of 2-chloro-8-phenyl-3-propylquinoline?
2-chloro-8-phenyl-3-propylquinoline has a molecular weight of 281.79 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-phenyl-3-propylquinoline is sourced from PubChem (CID 63531212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).