6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one

C19H17ClN2O — CID 715752

IUPAC6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCCC1
InChIInChI=1S/C19H17ClN2O/c20-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)18(19(23)21-16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11H2,(H,21,23)
InChIKeyKZCOCUBQHCHERY-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.45
Rot. Bonds2

About 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one

6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one (PubChem CID 715752) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
PubChem CID715752
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCCC1
InChIInChI=1S/C19H17ClN2O/c20-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)18(19(23)21-16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11H2,(H,21,23)
InChIKeyKZCOCUBQHCHERY-UHFFFAOYSA-N
XLogP4.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one (CID 715752) is 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCCC1.
What is the InChIKey of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one?
The InChIKey is KZCOCUBQHCHERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)18(19(23)21-16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11H2,(H,21,23).
What are the key properties of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one?
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one has a molecular weight of 324.81 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 715752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).