7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

C25H21N3O4 — CID 24800776

IUPAC7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC
InChIInChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28)
InChIKeyVVOLBRCSXARCDJ-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.81
Rot. Bonds6

About 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 24800776) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID24800776
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC
InChIInChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28)
InChIKeyVVOLBRCSXARCDJ-UHFFFAOYSA-N
XLogP5.81
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-(4-Chlorophenyl)-5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-1,3-Benzoxazol-2-Amine
CID 11351339
7-(1h-Benzimidazol-7-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3-Benzoxazol-2-Amine
CID 72771106
7-(2-Fluoro-6-Methoxyphenyl)-N-(3,4,5-Trimethoxyphenyl)-1,3-Benzoxazol-2-Amine
CID 72771105
7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800423
7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800600
7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800602
7-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800604
N-(4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 24801129
7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24801650
N-(3-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 46880686
Morpholino(4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanone
CID 46880687
7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 46880738

Frequently Asked Questions

What is the IUPAC name of 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 24800776) is 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC.
What is the InChIKey of 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is VVOLBRCSXARCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28).
What are the key properties of 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 427.46 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinolin-6-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24800776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).