(1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one

C38H28N2O2 — CID 98059807

IUPAC(1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1C[C@H](c2ccc(-c3ccc([C@H]4CC(=O)Nc5ccc6ccccc6c54)cc3)cc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C38H28N2O2/c41-35-21-31(37-29-7-3-1-5-25(29)17-19-33(37)39-35)27-13-9-23(10-14-27)24-11-15-28(16-12-24)32-22-36(42)40-34-20-18-26-6-2-4-8-30(26)38(32)34/h1-20,31-32H,21-22H2,(H,39,41)(H,40,42)/t31-,32-/m1/s1
InChIKeyHGVOKVNANLBSFB-ROJLCIKYSA-N
MW544.65 g/mol
LogP8.61
Rot. Bonds3

About (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one

(1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 98059807) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID98059807
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name(1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1C[C@H](c2ccc(-c3ccc([C@H]4CC(=O)Nc5ccc6ccccc6c54)cc3)cc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C38H28N2O2/c41-35-21-31(37-29-7-3-1-5-25(29)17-19-33(37)39-35)27-13-9-23(10-14-27)24-11-15-28(16-12-24)32-22-36(42)40-34-20-18-26-6-2-4-8-30(26)38(32)34/h1-20,31-32H,21-22H2,(H,39,41)(H,40,42)/t31-,32-/m1/s1
InChIKeyHGVOKVNANLBSFB-ROJLCIKYSA-N
XLogP8.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 98059807) is (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one is O=C1C[C@H](c2ccc(-c3ccc([C@H]4CC(=O)Nc5ccc6ccccc6c54)cc3)cc2)c2c(ccc3ccccc23)N1.
What is the InChIKey of (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is HGVOKVNANLBSFB-ROJLCIKYSA-N. The full InChI is InChI=1S/C38H28N2O2/c41-35-21-31(37-29-7-3-1-5-25(29)17-19-33(37)39-35)27-13-9-23(10-14-27)24-11-15-28(16-12-24)32-22-36(42)40-34-20-18-26-6-2-4-8-30(26)38(32)34/h1-20,31-32H,21-22H2,(H,39,41)(H,40,42)/t31-,32-/m1/s1.
What are the key properties of (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 544.65 g/mol, XLogP of 8.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl]phenyl]-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 98059807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).