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

C19H17ClN2O — CID 78204964

IUPAC6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one
SMILESO=C1N=C2C=CC(Cl)C=C2C(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/h1-3,6-9,12,14H,4-5,10-11H2
InChIKeyWKWBXTWXSHUYED-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.58
Rot. Bonds2

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

6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one (PubChem CID 78204964) 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-6H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one
PubChem CID78204964
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one
SMILESO=C1N=C2C=CC(Cl)C=C2C(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/h1-3,6-9,12,14H,4-5,10-11H2
InChIKeyWKWBXTWXSHUYED-UHFFFAOYSA-N
XLogP3.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one (CID 78204964) is 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one is O=C1N=C2C=CC(Cl)C=C2C(c2ccccc2)=C1N1CCCC1.
What is the InChIKey of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one?
The InChIKey is WKWBXTWXSHUYED-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/h1-3,6-9,12,14H,4-5,10-11H2.
What are the key properties of 6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one?
6-chloro-4-phenyl-3-pyrrolidin-1-yl-6H-quinolin-2-one has a molecular weight of 324.81 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 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-6H-quinolin-2-one is sourced from PubChem (CID 78204964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).