2-chloro-4-naphthalen-2-ylquinoline

C19H12ClN — CID 118874947

IUPAC2-chloro-4-naphthalen-2-ylquinoline
SMILESClc1cc(-c2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C19H12ClN/c20-19-12-17(16-7-3-4-8-18(16)21-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyXWUXWCWPLGMTBD-UHFFFAOYSA-N
MW289.77 g/mol
LogP5.71
Rot. Bonds1

About 2-chloro-4-naphthalen-2-ylquinoline

2-chloro-4-naphthalen-2-ylquinoline (PubChem CID 118874947) has the molecular formula C19H12ClN and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-ylquinoline.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-ylquinoline
PubChem CID118874947
Molecular FormulaC19H12ClN
Molecular Weight289.77 g/mol
Exact Mass289.07
IUPAC Name2-chloro-4-naphthalen-2-ylquinoline
SMILESClc1cc(-c2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C19H12ClN/c20-19-12-17(16-7-3-4-8-18(16)21-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyXWUXWCWPLGMTBD-UHFFFAOYSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.77
LogP ≤ 55.71
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

4-naphthalen-2-ylquinoline
CID 14173372
2-chloro-4-(2-chlorophenyl)quinoline
CID 21488606
1-naphthalen-2-ylacridine
CID 91364116
2-chloro-4-(1-methylpyrazol-4-yl)quinoline
CID 171561069
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958804
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
4-naphthalen-2-ylquinazoline
CID 58881337
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
1-(6-chloronaphthalen-2-yl)-4-phenylnaphthalene
CID 164745827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-ylquinoline?
The IUPAC name of 2-chloro-4-naphthalen-2-ylquinoline (CID 118874947) is 2-chloro-4-naphthalen-2-ylquinoline.
What is the SMILES notation for 2-chloro-4-naphthalen-2-ylquinoline?
The canonical SMILES for 2-chloro-4-naphthalen-2-ylquinoline is Clc1cc(-c2ccc3ccccc3c2)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-ylquinoline?
The InChIKey is XWUXWCWPLGMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN/c20-19-12-17(16-7-3-4-8-18(16)21-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H.
What are the key properties of 2-chloro-4-naphthalen-2-ylquinoline?
2-chloro-4-naphthalen-2-ylquinoline has a molecular weight of 289.77 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-ylquinoline is sourced from PubChem (CID 118874947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).