4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline

C15H11ClN2 — CID 145292318

IUPAC4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3cc[nH]c3)nc2c1
InChIInChI=1S/C15H11ClN2/c1-2-10-3-4-12-13(16)8-14(18-15(12)7-10)11-5-6-17-9-11/h2-9,17H,1H2
InChIKeyLGXDMKNYDWYPFR-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.53
Rot. Bonds2

About 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline

4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline (PubChem CID 145292318) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline.

Molecular Properties

Compound Name4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
PubChem CID145292318
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3cc[nH]c3)nc2c1
InChIInChI=1S/C15H11ClN2/c1-2-10-3-4-12-13(16)8-14(18-15(12)7-10)11-5-6-17-9-11/h2-9,17H,1H2
InChIKeyLGXDMKNYDWYPFR-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline?
The IUPAC name of 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline (CID 145292318) is 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline.
What is the SMILES notation for 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline?
The canonical SMILES for 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline is C=Cc1ccc2c(Cl)cc(-c3cc[nH]c3)nc2c1.
What is the InChIKey of 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline?
The InChIKey is LGXDMKNYDWYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c1-2-10-3-4-12-13(16)8-14(18-15(12)7-10)11-5-6-17-9-11/h2-9,17H,1H2.
What are the key properties of 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline?
4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline has a molecular weight of 254.72 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline is sourced from PubChem (CID 145292318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).