2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline

C22H15N3 — CID 54524072

IUPAC2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
SMILESc1ccc2nc(-c3c[nH]cc3-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C22H15N3/c1-3-7-19-15(5-1)9-11-21(24-19)17-13-23-14-18(17)22-12-10-16-6-2-4-8-20(16)25-22/h1-14,23H
InChIKeyYRWPQRHBDDFYNG-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.45
Rot. Bonds2

About 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline

2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline (PubChem CID 54524072) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline.

Molecular Properties

Compound Name2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
PubChem CID54524072
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
SMILESc1ccc2nc(-c3c[nH]cc3-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C22H15N3/c1-3-7-19-15(5-1)9-11-21(24-19)17-13-23-14-18(17)22-12-10-16-6-2-4-8-20(16)25-22/h1-14,23H
InChIKeyYRWPQRHBDDFYNG-UHFFFAOYSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)quinoline
CID 11622684
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
iridium;tris(2-phenylquinoline)
CID 122129463
4-quinolin-2-yl-1,3-benzothiazole
CID 54266473
2-(2,5-dimethylphenyl)quinoline
CID 1202732
2-(2-imidazol-1-ylphenyl)quinoline
CID 67206149
2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 153485154
bis(2-(2,4-difluorophenyl)quinoline);iridium
CID 175385280
2-[2-(2-methylpropyl)phenyl]quinoline
CID 175803564
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836

Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline?
The IUPAC name of 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline (CID 54524072) is 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline.
What is the SMILES notation for 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline?
The canonical SMILES for 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline is c1ccc2nc(-c3c[nH]cc3-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline?
The InChIKey is YRWPQRHBDDFYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-3-7-19-15(5-1)9-11-21(24-19)17-13-23-14-18(17)22-12-10-16-6-2-4-8-20(16)25-22/h1-14,23H.
What are the key properties of 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline?
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline has a molecular weight of 321.38 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline is sourced from PubChem (CID 54524072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).