2-naphthalen-1-ylquinoline-4-carbonyl chloride

C20H12ClNO — CID 91689267

IUPAC2-naphthalen-1-ylquinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H12ClNO/c21-20(23)17-12-19(22-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H
InChIKeyVLPKUYVBSUFSPD-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.43
Rot. Bonds2

About 2-naphthalen-1-ylquinoline-4-carbonyl chloride

2-naphthalen-1-ylquinoline-4-carbonyl chloride (PubChem CID 91689267) has the molecular formula C20H12ClNO and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-naphthalen-1-ylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-naphthalen-1-ylquinoline-4-carbonyl chloride
PubChem CID91689267
Molecular FormulaC20H12ClNO
Molecular Weight317.78 g/mol
Exact Mass317.06
IUPAC Name2-naphthalen-1-ylquinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H12ClNO/c21-20(23)17-12-19(22-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H
InChIKeyVLPKUYVBSUFSPD-UHFFFAOYSA-N
XLogP5.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 7535347
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 4802439
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4551994
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23993753
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2569270
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylquinoline-4-carbonyl chloride?
The IUPAC name of 2-naphthalen-1-ylquinoline-4-carbonyl chloride (CID 91689267) is 2-naphthalen-1-ylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-naphthalen-1-ylquinoline-4-carbonyl chloride?
The canonical SMILES for 2-naphthalen-1-ylquinoline-4-carbonyl chloride is O=C(Cl)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylquinoline-4-carbonyl chloride?
The InChIKey is VLPKUYVBSUFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO/c21-20(23)17-12-19(22-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H.
What are the key properties of 2-naphthalen-1-ylquinoline-4-carbonyl chloride?
2-naphthalen-1-ylquinoline-4-carbonyl chloride has a molecular weight of 317.78 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylquinoline-4-carbonyl chloride is sourced from PubChem (CID 91689267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).