6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline

C22H15ClN2O2 — CID 8965952

IUPAC6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
SMILESCc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H15ClN2O2/c1-14-7-8-16(11-22(14)25(26)27)21-13-18(15-5-3-2-4-6-15)19-12-17(23)9-10-20(19)24-21/h2-13H,1H3
InChIKeyQPBACSGSXGGGCV-UHFFFAOYSA-N
MW374.83 g/mol
LogP6.44
Rot. Bonds3

About 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline

6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline (PubChem CID 8965952) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
PubChem CID8965952
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
SMILESCc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H15ClN2O2/c1-14-7-8-16(11-22(14)25(26)27)21-13-18(15-5-3-2-4-6-15)19-12-17(23)9-10-20(19)24-21/h2-13H,1H3
InChIKeyQPBACSGSXGGGCV-UHFFFAOYSA-N
XLogP6.44
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 56.44
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline?
The IUPAC name of 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline (CID 8965952) is 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline.
What is the SMILES notation for 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline?
The canonical SMILES for 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline is Cc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline?
The InChIKey is QPBACSGSXGGGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c1-14-7-8-16(11-22(14)25(26)27)21-13-18(15-5-3-2-4-6-15)19-12-17(23)9-10-20(19)24-21/h2-13H,1H3.
What are the key properties of 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline?
6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline has a molecular weight of 374.83 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline is sourced from PubChem (CID 8965952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).