2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate

C18H19N3O — CID 51057895

IUPAC2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
SMILESO.c1ccc(-c2cc(N3CCCC3)c3ccccc3n2)nc1
InChIInChI=1S/C18H17N3.H2O/c1-2-8-15-14(7-1)18(21-11-5-6-12-21)13-17(20-15)16-9-3-4-10-19-16;/h1-4,7-10,13H,5-6,11-12H2;1H2
InChIKeyQIUPBFCDYPIHNE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.07
Rot. Bonds2

About 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate

2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate (PubChem CID 51057895) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate.

Molecular Properties

Compound Name2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
PubChem CID51057895
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
SMILESO.c1ccc(-c2cc(N3CCCC3)c3ccccc3n2)nc1
InChIInChI=1S/C18H17N3.H2O/c1-2-8-15-14(7-1)18(21-11-5-6-12-21)13-17(20-15)16-9-3-4-10-19-16;/h1-4,7-10,13H,5-6,11-12H2;1H2
InChIKeyQIUPBFCDYPIHNE-UHFFFAOYSA-N
XLogP3.07
TPSA60.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate?
The IUPAC name of 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate (CID 51057895) is 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate.
What is the SMILES notation for 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate?
The canonical SMILES for 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate is O.c1ccc(-c2cc(N3CCCC3)c3ccccc3n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate?
The InChIKey is QIUPBFCDYPIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.H2O/c1-2-8-15-14(7-1)18(21-11-5-6-12-21)13-17(20-15)16-9-3-4-10-19-16;/h1-4,7-10,13H,5-6,11-12H2;1H2.
What are the key properties of 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate?
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate has a molecular weight of 293.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate is sourced from PubChem (CID 51057895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).