N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine

C28H22FN3O — CID 16663557

IUPACN-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
SMILESCc1cccc(C)c1NC1=C(c2ccccc2F)OC2C=Cc3ccc4cccnc4c3N12
InChIInChI=1S/C28H22FN3O/c1-17-7-5-8-18(2)24(17)31-28-27(21-10-3-4-11-22(21)29)33-23-15-14-20-13-12-19-9-6-16-30-25(19)26(20)32(23)28/h3-16,23,31H,1-2H3
InChIKeyYRXSSSFALUPJDB-UHFFFAOYSA-N
MW435.50 g/mol
LogP6.62
Rot. Bonds3

About N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine

N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine (PubChem CID 16663557) has the molecular formula C28H22FN3O and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
PubChem CID16663557
Molecular FormulaC28H22FN3O
Molecular Weight435.50 g/mol
Exact Mass435.17
IUPAC NameN-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
SMILESCc1cccc(C)c1NC1=C(c2ccccc2F)OC2C=Cc3ccc4cccnc4c3N12
InChIInChI=1S/C28H22FN3O/c1-17-7-5-8-18(2)24(17)31-28-27(21-10-3-4-11-22(21)29)33-23-15-14-20-13-12-19-9-6-16-30-25(19)26(20)32(23)28/h3-16,23,31H,1-2H3
InChIKeyYRXSSSFALUPJDB-UHFFFAOYSA-N
XLogP6.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine with MolForge

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Related Compounds

N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
CID 102276520
3-[1-(4-fluorophenyl)-5-quinoxalin-6-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 138679101
3-(4-fluorophenyl)-N,N-dimethyl-3-(5-quinolin-3-yl-1,3-dihydro-2-benzofuran-1-yl)propan-1-amine
CID 138679126
3-[1-(4-fluorophenyl)-5-quinoxalin-2-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 138679161
4-[1-(4-fluorophenyl)-5-quinoxalin-6-yl-3H-2-benzofuran-1-yl]-2-methylbutan-2-amine
CID 138752174
3-[1-(4-fluorophenyl)-5-quinolin-3-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 139319195
N-[2-(4-fluorophenyl)propyl]-N-methyl-5-(7-methylquinolin-3-yl)-1,3-dihydro-2-benzofuran-1-amine
CID 141678843
2-[1-(4-fluorophenyl)-5-quinoxalin-6-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 141678844
2-[1-(4-fluorophenyl)-5-quinoxalin-2-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 141678856
4-fluoro-1-N-[1-[6-[(3S)-3-[6-(3-methylcyclobutyl)-7-(5-methyloxolan-2-yl)quinolin-4-yl]cyclopentyl]naphthalen-1-yl]ethenyl]benzene-1,2-diamine
CID 163414113
1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
CID 166726128
9-[Ethoxy(quinolin-8-ylamino)methyl]anthracene
CID 139067256

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine (CID 16663557) is N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine is Cc1cccc(C)c1NC1=C(c2ccccc2F)OC2C=Cc3ccc4cccnc4c3N12.
What is the InChIKey of N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
The InChIKey is YRXSSSFALUPJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O/c1-17-7-5-8-18(2)24(17)31-28-27(21-10-3-4-11-22(21)29)33-23-15-14-20-13-12-19-9-6-16-30-25(19)26(20)32(23)28/h3-16,23,31H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine has a molecular weight of 435.50 g/mol, XLogP of 6.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine is sourced from PubChem (CID 16663557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).