8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline

C19H15N3 — CID 59419682

IUPAC8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline
SMILESc1cncc(C(c2ccc[nH]2)c2cccc3cccnc23)c1
InChIInChI=1S/C19H15N3/c1-5-14-6-3-12-22-19(14)16(8-1)18(17-9-4-11-21-17)15-7-2-10-20-13-15/h1-13,18,21H
InChIKeyXQPPAXYIGKCCNI-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.14
Rot. Bonds3

About 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline

8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline (PubChem CID 59419682) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline
PubChem CID59419682
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline
SMILESc1cncc(C(c2ccc[nH]2)c2cccc3cccnc23)c1
InChIInChI=1S/C19H15N3/c1-5-14-6-3-12-22-19(14)16(8-1)18(17-9-4-11-21-17)15-7-2-10-20-13-15/h1-13,18,21H
InChIKeyXQPPAXYIGKCCNI-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline?
The IUPAC name of 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline (CID 59419682) is 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline.
What is the SMILES notation for 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline?
The canonical SMILES for 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline is c1cncc(C(c2ccc[nH]2)c2cccc3cccnc23)c1.
What is the InChIKey of 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline?
The InChIKey is XQPPAXYIGKCCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-5-14-6-3-12-22-19(14)16(8-1)18(17-9-4-11-21-17)15-7-2-10-20-13-15/h1-13,18,21H.
What are the key properties of 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline?
8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline has a molecular weight of 285.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline is sourced from PubChem (CID 59419682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).