(1S)-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 98059805

IUPAC(1S)-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+
InChIKeyHGVOKVNANLBSFB-MEKGRNQZSA-N
MW544.65 g/mol
LogP8.61
Rot. Bonds3

About (1S)-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

(1S)-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 98059805) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is (1S)-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(1S)-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 CID98059805
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name(1S)-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+
InChIKeyHGVOKVNANLBSFB-MEKGRNQZSA-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 (1S)-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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Launch Full Analysis

Related Compounds

Pigment Red 149
CID 62555
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
Solvent Yellow 44
CID 75589
4-(3-Fluoro-phenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 3149754
4-{3-nitrophenyl}-3,4-dihydrobenzo[h]quinolin-2(1H)-one
CID 2854638
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(4-aminophenyl)-
CID 564913
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-2(1H)-quinolinone
CID 2916903
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-10-yl]acetamide
CID 10339437
1,4-Dihydrobenzo[f]quinolin-3(2H)-one
CID 12346464
N-Hydroxy-N'-pyren-1-yl-perfluoro-octanediamide
CID 57336564
N-(2,3-Dihydro-1,3-dioxo-2-phenyl-1H-benz(de)isoquinolin-6-yl)acetamide
CID 739740
4-(4-methyl-3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3131416

Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-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 98059805) is (1S)-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 (1S)-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 (1S)-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 (1S)-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-MEKGRNQZSA-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+.
What are the key properties of (1S)-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?
(1S)-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 (1S)-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 98059805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).