4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one

C52H39Cl4FN8O3 — CID 159184749

IUPAC4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C26H19Cl2FN4O.C26H20Cl2N4O2/c1-32-15-30-14-23(32)26(29,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(34)33(2)25(22)31-13-18;1-31-15-29-14-23(31)26(34,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(33)32(2)25(22)30-13-18/h3-15H,1-2H3;3-15,34H,1-2H3/t26-;/m1./s1
InChIKeyKNIOJDFXWGPPGN-UFTMZEDQSA-N
MW984.75 g/mol
LogP10.83
Rot. Bonds8

About 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one

4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one (PubChem CID 159184749) has the molecular formula C52H39Cl4FN8O3 and a molecular weight of 984.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
PubChem CID159184749
Molecular FormulaC52H39Cl4FN8O3
Molecular Weight984.75 g/mol
Exact Mass982.19
IUPAC Name4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C26H19Cl2FN4O.C26H20Cl2N4O2/c1-32-15-30-14-23(32)26(29,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(34)33(2)25(22)31-13-18;1-31-15-29-14-23(31)26(34,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(33)32(2)25(22)30-13-18/h3-15H,1-2H3;3-15,34H,1-2H3/t26-;/m1./s1
InChIKeyKNIOJDFXWGPPGN-UFTMZEDQSA-N
XLogP10.83
TPSA125.65 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500984.75
LogP ≤ 510.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one with MolForge

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Related Compounds

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 59334692
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 59334673
3-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]benzonitrile
CID 46203632
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 59334656
6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334748
6-[(R)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 161318736
4-(3-chlorophenyl)-6-[(R)-hydroxy-(4-iodophenyl)-(3-methyltriazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 70891820
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;methane
CID 143910641
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
4-(3-chlorophenyl)-6-[hydroxy-[4-[(E)-methoxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 21082006
4-(3-chlorophenyl)-6-[hydroxy-[4-[(2-hydroxyethylamino)methyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 58799365

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one (CID 159184749) is 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is KNIOJDFXWGPPGN-UFTMZEDQSA-N. The full InChI is InChI=1S/C26H19Cl2FN4O.C26H20Cl2N4O2/c1-32-15-30-14-23(32)26(29,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(34)33(2)25(22)31-13-18;1-31-15-29-14-23(31)26(34,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(33)32(2)25(22)30-13-18/h3-15H,1-2H3;3-15,34H,1-2H3/t26-;/m1./s1.
What are the key properties of 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one?
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 984.75 g/mol, XLogP of 10.83, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 159184749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).