4-(2-chlorophenyl)-6-methyl-3-nitroquinoline

C16H11ClN2O2 — CID 15035197

IUPAC4-(2-chlorophenyl)-6-methyl-3-nitroquinoline
SMILESCc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C16H11ClN2O2/c1-10-6-7-14-12(8-10)16(15(9-18-14)19(20)21)11-4-2-3-5-13(11)17/h2-9H,1H3
InChIKeyFPDKYHOQANSSSO-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.77
Rot. Bonds2

About 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline

4-(2-chlorophenyl)-6-methyl-3-nitroquinoline (PubChem CID 15035197) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-methyl-3-nitroquinoline
PubChem CID15035197
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name4-(2-chlorophenyl)-6-methyl-3-nitroquinoline
SMILESCc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C16H11ClN2O2/c1-10-6-7-14-12(8-10)16(15(9-18-14)19(20)21)11-4-2-3-5-13(11)17/h2-9H,1H3
InChIKeyFPDKYHOQANSSSO-UHFFFAOYSA-N
XLogP4.77
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.77
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 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline?
The IUPAC name of 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline (CID 15035197) is 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline.
What is the SMILES notation for 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline?
The canonical SMILES for 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline is Cc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3Cl)c2c1.
What is the InChIKey of 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline?
The InChIKey is FPDKYHOQANSSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-10-6-7-14-12(8-10)16(15(9-18-14)19(20)21)11-4-2-3-5-13(11)17/h2-9H,1H3.
What are the key properties of 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline?
4-(2-chlorophenyl)-6-methyl-3-nitroquinoline has a molecular weight of 298.73 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-methyl-3-nitroquinoline is sourced from PubChem (CID 15035197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).