6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile

C15H14ClN3O — CID 133410643

IUPAC6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
SMILESCC1(O)CCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1
InChIInChI=1S/C15H14ClN3O/c1-15(20)4-5-19(9-15)14-6-10(8-17)12-7-11(16)2-3-13(12)18-14/h2-3,6-7,20H,4-5,9H2,1H3
InChIKeyCEUDJNMHVBHECF-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.72
Rot. Bonds1

About 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile

6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile (PubChem CID 133410643) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
PubChem CID133410643
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
SMILESCC1(O)CCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1
InChIInChI=1S/C15H14ClN3O/c1-15(20)4-5-19(9-15)14-6-10(8-17)12-7-11(16)2-3-13(12)18-14/h2-3,6-7,20H,4-5,9H2,1H3
InChIKeyCEUDJNMHVBHECF-UHFFFAOYSA-N
XLogP2.72
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile (CID 133410643) is 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile is CC1(O)CCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1.
What is the InChIKey of 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile?
The InChIKey is CEUDJNMHVBHECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-15(20)4-5-19(9-15)14-6-10(8-17)12-7-11(16)2-3-13(12)18-14/h2-3,6-7,20H,4-5,9H2,1H3.
What are the key properties of 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile?
6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 133410643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).