2-phenyl-4-pyrrolidin-1-ylquinoline

C19H18N2 — CID 3438772

IUPAC2-phenyl-4-pyrrolidin-1-ylquinoline
SMILESc1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H18N2/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18/h1-5,8-11,14H,6-7,12-13H2
InChIKeyYTUIYBMAIYEAER-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.50
Rot. Bonds2

About 2-phenyl-4-pyrrolidin-1-ylquinoline

2-phenyl-4-pyrrolidin-1-ylquinoline (PubChem CID 3438772) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-phenyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name2-phenyl-4-pyrrolidin-1-ylquinoline
PubChem CID3438772
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-phenyl-4-pyrrolidin-1-ylquinoline
SMILESc1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H18N2/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18/h1-5,8-11,14H,6-7,12-13H2
InChIKeyYTUIYBMAIYEAER-UHFFFAOYSA-N
XLogP4.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 2-phenyl-4-pyrrolidin-1-ylquinoline (CID 3438772) is 2-phenyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 2-phenyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 2-phenyl-4-pyrrolidin-1-ylquinoline is c1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is YTUIYBMAIYEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18/h1-5,8-11,14H,6-7,12-13H2.
What are the key properties of 2-phenyl-4-pyrrolidin-1-ylquinoline?
2-phenyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 274.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 3438772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).