2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine

C28H19FN4O — CID 170002008

IUPAC2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine
SMILESFc1ccc2nccc(Nc3ccc4nc(-c5cccc(Nc6ccccc6)c5)oc4c3)c2c1
InChIInChI=1S/C28H19FN4O/c29-19-9-11-24-23(16-19)25(13-14-30-24)32-22-10-12-26-27(17-22)34-28(33-26)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-17,31H,(H,30,32)
InChIKeyUWHUSIPOWGMMAY-UHFFFAOYSA-N
MW446.49 g/mol
LogP7.67
Rot. Bonds5

About 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine

2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine (PubChem CID 170002008) has the molecular formula C28H19FN4O and a molecular weight of 446.49 g/mol. Its IUPAC name is 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine
PubChem CID170002008
Molecular FormulaC28H19FN4O
Molecular Weight446.49 g/mol
Exact Mass446.15
IUPAC Name2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine
SMILESFc1ccc2nccc(Nc3ccc4nc(-c5cccc(Nc6ccccc6)c5)oc4c3)c2c1
InChIInChI=1S/C28H19FN4O/c29-19-9-11-24-23(16-19)25(13-14-30-24)32-22-10-12-26-27(17-22)34-28(33-26)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-17,31H,(H,30,32)
InChIKeyUWHUSIPOWGMMAY-UHFFFAOYSA-N
XLogP7.67
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(6-isocyanoquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 168838834
4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
CID 157042937
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
CID 170716724
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
2-[3-[(6-isocyano-5,6,7,8-tetrahydroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-1,3-benzoxazol-6-amine
CID 168838841
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
CID 157043714
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-2-methylbenzamide
CID 170001846
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
[2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-6-(pyridin-4-ylamino)benzimidazol-1-yl]methyl dihydrogen phosphate
CID 157042669
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
CID 157043478

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine (CID 170002008) is 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine is Fc1ccc2nccc(Nc3ccc4nc(-c5cccc(Nc6ccccc6)c5)oc4c3)c2c1.
What is the InChIKey of 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine?
The InChIKey is UWHUSIPOWGMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4O/c29-19-9-11-24-23(16-19)25(13-14-30-24)32-22-10-12-26-27(17-22)34-28(33-26)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-17,31H,(H,30,32).
What are the key properties of 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine?
2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine has a molecular weight of 446.49 g/mol, XLogP of 7.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 170002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).