3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one

C37H25BrN2O4 — CID 99649119

IUPAC3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1[nH]c2c(-c3ccccc3)cccc2c(O)c1[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C37H25BrN2O4/c38-24-14-9-13-23(21-24)30(31-35(42)28-19-10-18-26(33(28)39-36(31)43)22-11-3-1-4-12-22)32-34(41)27-17-7-8-20-29(27)40(37(32)44)25-15-5-2-6-16-25/h1-21,30,41H,(H2,39,42,43)/t30-/m0/s1
InChIKeyDFWXIEXTXIJSGM-PMERELPUSA-N
MW641.52 g/mol
LogP7.85
Rot. Bonds5

About 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one

3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 99649119) has the molecular formula C37H25BrN2O4 and a molecular weight of 641.52 g/mol. Its IUPAC name is 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one
PubChem CID99649119
Molecular FormulaC37H25BrN2O4
Molecular Weight641.52 g/mol
Exact Mass640.10
IUPAC Name3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1[nH]c2c(-c3ccccc3)cccc2c(O)c1[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C37H25BrN2O4/c38-24-14-9-13-23(21-24)30(31-35(42)28-19-10-18-26(33(28)39-36(31)43)22-11-3-1-4-12-22)32-34(41)27-17-7-8-20-29(27)40(37(32)44)25-15-5-2-6-16-25/h1-21,30,41H,(H2,39,42,43)/t30-/m0/s1
InChIKeyDFWXIEXTXIJSGM-PMERELPUSA-N
XLogP7.85
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.52
LogP ≤ 57.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one with MolForge

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Related Compounds

4-hydroxy-3,8-diphenyl-1H-quinolin-2-one
CID 54705759
3,7-diphenyl-1H-benzimidazol-2-one
CID 174623828
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
4,8-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 110272879
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
2-bromo-9-(4-naphthalen-1-ylphenyl)carbazole
CID 130250089
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one (CID 99649119) is 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one is O=c1[nH]c2c(-c3ccccc3)cccc2c(O)c1[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is DFWXIEXTXIJSGM-PMERELPUSA-N. The full InChI is InChI=1S/C37H25BrN2O4/c38-24-14-9-13-23(21-24)30(31-35(42)28-19-10-18-26(33(28)39-36(31)43)22-11-3-1-4-12-22)32-34(41)27-17-7-8-20-29(27)40(37(32)44)25-15-5-2-6-16-25/h1-21,30,41H,(H2,39,42,43)/t30-/m0/s1.
What are the key properties of 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one?
3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 641.52 g/mol, XLogP of 7.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(3-bromophenyl)-(4-hydroxy-2-oxo-8-phenyl-1H-quinolin-3-yl)methyl]-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 99649119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).