2-chloro-7-(chloromethyl)-3-phenylquinoline

C16H11Cl2N — CID 28809420

IUPAC2-chloro-7-(chloromethyl)-3-phenylquinoline
SMILESClCc1ccc2cc(-c3ccccc3)c(Cl)nc2c1
InChIInChI=1S/C16H11Cl2N/c17-10-11-6-7-13-9-14(12-4-2-1-3-5-12)16(18)19-15(13)8-11/h1-9H,10H2
InChIKeyHGZAGPPDTSLOIL-UHFFFAOYSA-N
MW288.18 g/mol
LogP5.29
Rot. Bonds2

About 2-chloro-7-(chloromethyl)-3-phenylquinoline

2-chloro-7-(chloromethyl)-3-phenylquinoline (PubChem CID 28809420) has the molecular formula C16H11Cl2N and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-chloro-7-(chloromethyl)-3-phenylquinoline.

Molecular Properties

Compound Name2-chloro-7-(chloromethyl)-3-phenylquinoline
PubChem CID28809420
Molecular FormulaC16H11Cl2N
Molecular Weight288.18 g/mol
Exact Mass287.03
IUPAC Name2-chloro-7-(chloromethyl)-3-phenylquinoline
SMILESClCc1ccc2cc(-c3ccccc3)c(Cl)nc2c1
InChIInChI=1S/C16H11Cl2N/c17-10-11-6-7-13-9-14(12-4-2-1-3-5-12)16(18)19-15(13)8-11/h1-9H,10H2
InChIKeyHGZAGPPDTSLOIL-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.18
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(chloromethyl)-3-phenylquinoline?
The IUPAC name of 2-chloro-7-(chloromethyl)-3-phenylquinoline (CID 28809420) is 2-chloro-7-(chloromethyl)-3-phenylquinoline.
What is the SMILES notation for 2-chloro-7-(chloromethyl)-3-phenylquinoline?
The canonical SMILES for 2-chloro-7-(chloromethyl)-3-phenylquinoline is ClCc1ccc2cc(-c3ccccc3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-(chloromethyl)-3-phenylquinoline?
The InChIKey is HGZAGPPDTSLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N/c17-10-11-6-7-13-9-14(12-4-2-1-3-5-12)16(18)19-15(13)8-11/h1-9H,10H2.
What are the key properties of 2-chloro-7-(chloromethyl)-3-phenylquinoline?
2-chloro-7-(chloromethyl)-3-phenylquinoline has a molecular weight of 288.18 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(chloromethyl)-3-phenylquinoline is sourced from PubChem (CID 28809420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).