8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride

C18H17ClN2O2 — CID 19381182

IUPAC8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
SMILESCC(C)c1cc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1.Cl
InChIInChI=1S/C18H16N2O2.ClH/c1-12(2)15-9-14-6-4-8-19-18(14)17(11-15)13-5-3-7-16(10-13)20(21)22;/h3-12H,1-2H3;1H
InChIKeyBWEPUVFPHUYHFK-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.36
Rot. Bonds3

About 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride

8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride (PubChem CID 19381182) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride.

Molecular Properties

Compound Name8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
PubChem CID19381182
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
SMILESCC(C)c1cc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1.Cl
InChIInChI=1S/C18H16N2O2.ClH/c1-12(2)15-9-14-6-4-8-19-18(14)17(11-15)13-5-3-7-16(10-13)20(21)22;/h3-12H,1-2H3;1H
InChIKeyBWEPUVFPHUYHFK-UHFFFAOYSA-N
XLogP5.36
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-phenyl-6-propan-2-ylquinoline
CID 15295265
methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
CID 23202313
8-[3-(phenylsulfanylmethyl)phenyl]-6-propan-2-ylquinoline
CID 10215723
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
CID 142806094
8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 22083707
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]benzoic acid
CID 10309647
2-(4-methylsulfonylphenyl)-1-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethanamine
CID 67565073
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
CID 67565105
hydroxy-dimethyl-[4-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methoxy]phenyl]-λ4-sulfane
CID 10288042
N-(4-methylsulfonylphenyl)-N-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]propane-2-sulfonamide
CID 10152792
8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 22083734

Frequently Asked Questions

What is the IUPAC name of 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride?
The IUPAC name of 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride (CID 19381182) is 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride.
What is the SMILES notation for 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride?
The canonical SMILES for 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride is CC(C)c1cc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1.Cl.
What is the InChIKey of 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride?
The InChIKey is BWEPUVFPHUYHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.ClH/c1-12(2)15-9-14-6-4-8-19-18(14)17(11-15)13-5-3-7-16(10-13)20(21)22;/h3-12H,1-2H3;1H.
What are the key properties of 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride?
8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride is sourced from PubChem (CID 19381182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).