(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone

C70H50Cl2N2O4P2 — CID 139192507

IUPAC(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone
SMILESO=C(c1ccccc1)[C@@](c1ccc(Cl)cc1)(c1ccc2ccccc2n1)P(=O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)[C@](c1ccc(Cl)cc1)(c1ccc2ccccc2n1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C35H25ClNO2P/c2*36-29-23-21-28(22-24-29)35(34(38)27-13-4-1-5-14-27,33-25-20-26-12-10-11-19-32(26)37-33)40(39,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h2*1-25H/t2*35-/m10/s1
InChIKeyMUXCZOZWZUPPBD-SINQVHQPSA-N
MW1116.03 g/mol
LogP16.06
Rot. Bonds14

About (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone

(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone (PubChem CID 139192507) has the molecular formula C70H50Cl2N2O4P2 and a molecular weight of 1116.03 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone
PubChem CID139192507
Molecular FormulaC70H50Cl2N2O4P2
Molecular Weight1116.03 g/mol
Exact Mass1114.26
IUPAC Name(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone
SMILESO=C(c1ccccc1)[C@@](c1ccc(Cl)cc1)(c1ccc2ccccc2n1)P(=O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)[C@](c1ccc(Cl)cc1)(c1ccc2ccccc2n1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C35H25ClNO2P/c2*36-29-23-21-28(22-24-29)35(34(38)27-13-4-1-5-14-27,33-25-20-26-12-10-11-19-32(26)37-33)40(39,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h2*1-25H/t2*35-/m10/s1
InChIKeyMUXCZOZWZUPPBD-SINQVHQPSA-N
XLogP16.06
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.03
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone with MolForge

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Related Compounds

(E)-1-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one
CID 5788319
3-(4-Chlorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 46919382
(E)-1-[3-(acridin-9-ylamino)phenyl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 45112354
1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone
CID 155549820
[4-[(4-Chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone
CID 135015975
2-Chloroquinolinyl chalcone
CID 129730449
(E)-1-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-methylquinolin-3-yl]-3-phenylprop-2-en-1-one
CID 162395288
(E)-3-(4-chlorophenyl)-1-[2-methyl-4-[(E)-2-phenylethenyl]quinolin-3-yl]prop-2-en-1-one
CID 164189120
(E)-3-(4-chlorophenyl)-1-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-methylquinolin-3-yl]prop-2-en-1-one
CID 166593554
(E)-3-(4-chlorophenyl)-1-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]quinolin-3-yl]prop-2-en-1-one
CID 166593596
Protein (sartorilli)
CID 300091
1-[2-(4-Chlorophenyl)quinolin-4-yl]ethanone
CID 230597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone (CID 139192507) is (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone is O=C(c1ccccc1)[C@@](c1ccc(Cl)cc1)(c1ccc2ccccc2n1)P(=O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)[C@](c1ccc(Cl)cc1)(c1ccc2ccccc2n1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone?
The InChIKey is MUXCZOZWZUPPBD-SINQVHQPSA-N. The full InChI is InChI=1S/2C35H25ClNO2P/c2*36-29-23-21-28(22-24-29)35(34(38)27-13-4-1-5-14-27,33-25-20-26-12-10-11-19-32(26)37-33)40(39,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h2*1-25H/t2*35-/m10/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone?
(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone has a molecular weight of 1116.03 g/mol, XLogP of 16.06, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone is sourced from PubChem (CID 139192507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).