2-quinolin-2-ylquinoline-3-carbonyl chloride

C19H11ClN2O — CID 175755817

IUPAC2-quinolin-2-ylquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2nc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H11ClN2O/c20-19(23)14-11-13-6-2-4-8-16(13)22-18(14)17-10-9-12-5-1-3-7-15(12)21-17/h1-11H
InChIKeyLXRVBLBBTVQMAG-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.83
Rot. Bonds2

About 2-quinolin-2-ylquinoline-3-carbonyl chloride

2-quinolin-2-ylquinoline-3-carbonyl chloride (PubChem CID 175755817) has the molecular formula C19H11ClN2O and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-quinolin-2-ylquinoline-3-carbonyl chloride.

Molecular Properties

Compound Name2-quinolin-2-ylquinoline-3-carbonyl chloride
PubChem CID175755817
Molecular FormulaC19H11ClN2O
Molecular Weight318.76 g/mol
Exact Mass318.06
IUPAC Name2-quinolin-2-ylquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2nc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H11ClN2O/c20-19(23)14-11-13-6-2-4-8-16(13)22-18(14)17-10-9-12-5-1-3-7-15(12)21-17/h1-11H
InChIKeyLXRVBLBBTVQMAG-UHFFFAOYSA-N
XLogP4.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;bis(2-quinolin-2-ylquinoline-3-carboxylate);hydrate
CID 177254777
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
3,5-bis[2-(4-quinolin-2-ylphenyl)phenyl]benzoyl chloride;methane
CID 160911064
1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
2-phenylquinoline-3-carboxamide
CID 22159420
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
methyl 3-quinolin-2-ylnaphthalene-1-carboxylate
CID 141463959
2-bromo-4-quinolin-2-ylbenzoic acid
CID 139922205
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylquinoline-3-carbonyl chloride?
The IUPAC name of 2-quinolin-2-ylquinoline-3-carbonyl chloride (CID 175755817) is 2-quinolin-2-ylquinoline-3-carbonyl chloride.
What is the SMILES notation for 2-quinolin-2-ylquinoline-3-carbonyl chloride?
The canonical SMILES for 2-quinolin-2-ylquinoline-3-carbonyl chloride is O=C(Cl)c1cc2ccccc2nc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-quinolin-2-ylquinoline-3-carbonyl chloride?
The InChIKey is LXRVBLBBTVQMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O/c20-19(23)14-11-13-6-2-4-8-16(13)22-18(14)17-10-9-12-5-1-3-7-15(12)21-17/h1-11H.
What are the key properties of 2-quinolin-2-ylquinoline-3-carbonyl chloride?
2-quinolin-2-ylquinoline-3-carbonyl chloride has a molecular weight of 318.76 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylquinoline-3-carbonyl chloride is sourced from PubChem (CID 175755817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).