6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one

C142H88Cl6F7N9O12 — CID 158954367

IUPAC6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESCc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1.O=C(/C=C/c1c(F)cccc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)c(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)cc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncnc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C25H18ClNO2.3C24H14ClF2NO2.C23H14ClFN2O2.C22H14ClN3O2/c1-16-7-9-17(10-8-16)11-14-22(28)24-23(18-5-3-2-4-6-18)20-15-19(26)12-13-21(20)27-25(24)29;25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27;25-16-8-10-20-18(12-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-17(26)13-19(14)27;25-16-8-10-20-17(13-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-18(26)19(27)12-14;24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14;23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h2-15H,1H3,(H,27,29);3*1-13H,(H,28,30);1-13H,(H,27,29);1-13H,(H,26,28)/b14-11+;12-10+;2*11-7+;2*9-6+
InChIKeyJLVAKINWDLTXBM-UDMOMJMNSA-N
MW2458.02 g/mol
LogP33.93
Rot. Bonds24

About 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one

6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 158954367) has the molecular formula C142H88Cl6F7N9O12 and a molecular weight of 2458.02 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one
PubChem CID158954367
Molecular FormulaC142H88Cl6F7N9O12
Molecular Weight2458.02 g/mol
Exact Mass2453.46
IUPAC Name6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESCc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1.O=C(/C=C/c1c(F)cccc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)c(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)cc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncnc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C25H18ClNO2.3C24H14ClF2NO2.C23H14ClFN2O2.C22H14ClN3O2/c1-16-7-9-17(10-8-16)11-14-22(28)24-23(18-5-3-2-4-6-18)20-15-19(26)12-13-21(20)27-25(24)29;25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27;25-16-8-10-20-18(12-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-17(26)13-19(14)27;25-16-8-10-20-17(13-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-18(26)19(27)12-14;24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14;23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h2-15H,1H3,(H,27,29);3*1-13H,(H,28,30);1-13H,(H,27,29);1-13H,(H,26,28)/b14-11+;12-10+;2*11-7+;2*9-6+
InChIKeyJLVAKINWDLTXBM-UDMOMJMNSA-N
XLogP33.93
TPSA338.25 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.02
LogP ≤ 533.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one (CID 158954367) is 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one is Cc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1.O=C(/C=C/c1c(F)cccc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)c(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)cc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncnc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is JLVAKINWDLTXBM-UDMOMJMNSA-N. The full InChI is InChI=1S/C25H18ClNO2.3C24H14ClF2NO2.C23H14ClFN2O2.C22H14ClN3O2/c1-16-7-9-17(10-8-16)11-14-22(28)24-23(18-5-3-2-4-6-18)20-15-19(26)12-13-21(20)27-25(24)29;25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27;25-16-8-10-20-18(12-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-17(26)13-19(14)27;25-16-8-10-20-17(13-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-18(26)19(27)12-14;24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14;23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h2-15H,1H3,(H,27,29);3*1-13H,(H,28,30);1-13H,(H,27,29);1-13H,(H,26,28)/b14-11+;12-10+;2*11-7+;2*9-6+.
What are the key properties of 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one?
6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2458.02 g/mol, XLogP of 33.93, 24 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 158954367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).