6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one

C20H19ClN2O2 — CID 78202633

IUPAC6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one
SMILESO=C1N=C2C=CC(Cl)C=C2C(c2ccccc2)=C1CN1CCOCC1
InChIInChI=1S/C20H19ClN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12,15H,8-11,13H2
InChIKeyPZAIJMDXEZLNIM-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one

6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one (PubChem CID 78202633) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one
PubChem CID78202633
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one
SMILESO=C1N=C2C=CC(Cl)C=C2C(c2ccccc2)=C1CN1CCOCC1
InChIInChI=1S/C20H19ClN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12,15H,8-11,13H2
InChIKeyPZAIJMDXEZLNIM-UHFFFAOYSA-N
XLogP2.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one (CID 78202633) is 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one is O=C1N=C2C=CC(Cl)C=C2C(c2ccccc2)=C1CN1CCOCC1.
What is the InChIKey of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one?
The InChIKey is PZAIJMDXEZLNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12,15H,8-11,13H2.
What are the key properties of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one?
6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one has a molecular weight of 354.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-6H-quinolin-2-one is sourced from PubChem (CID 78202633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).