8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione

C22H19FN2O2 — CID 118539765

IUPAC8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
SMILESCC(C)c1cc2c(c(=O)c3cc(F)ccc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C22H19FN2O2/c1-13(2)18-12-19-20(22(27)25(18)15-7-5-4-6-8-15)21(26)16-11-14(23)9-10-17(16)24(19)3/h4-13H,1-3H3
InChIKeyMBMWVYLCGOHVBA-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.11
Rot. Bonds2

About 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione

8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione (PubChem CID 118539765) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione.

Molecular Properties

Compound Name8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
PubChem CID118539765
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
SMILESCC(C)c1cc2c(c(=O)c3cc(F)ccc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C22H19FN2O2/c1-13(2)18-12-19-20(22(27)25(18)15-7-5-4-6-8-15)21(26)16-11-14(23)9-10-17(16)24(19)3/h4-13H,1-3H3
InChIKeyMBMWVYLCGOHVBA-UHFFFAOYSA-N
XLogP4.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539694
3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553550
2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118553564
8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539667
6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid
CID 177481591
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
CID 516450
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553545
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
6-chloro-2-fluoro-9-phenylcarbazole
CID 142744719
4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;ethane;2-methylpropane
CID 158072742

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione?
The IUPAC name of 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione (CID 118539765) is 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione.
What is the SMILES notation for 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione?
The canonical SMILES for 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione is CC(C)c1cc2c(c(=O)c3cc(F)ccc3n2C)c(=O)n1-c1ccccc1.
What is the InChIKey of 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione?
The InChIKey is MBMWVYLCGOHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-13(2)18-12-19-20(22(27)25(18)15-7-5-4-6-8-15)21(26)16-11-14(23)9-10-17(16)24(19)3/h4-13H,1-3H3.
What are the key properties of 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione?
8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione has a molecular weight of 362.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione is sourced from PubChem (CID 118539765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).