2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole

C34H21FN2O — CID 166850071

IUPAC2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7o6)cc5)cnc4c3)cc2)cc1
InChIInChI=1S/C34H21FN2O/c35-30-17-15-23(16-18-30)22-5-7-24(8-6-22)27-13-14-28-19-29(21-36-32(28)20-27)25-9-11-26(12-10-25)34-37-31-3-1-2-4-33(31)38-34/h1-21H
InChIKeyUUGWKELWHLMEGG-UHFFFAOYSA-N
MW492.55 g/mol
LogP9.18
Rot. Bonds4

About 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole

2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 166850071) has the molecular formula C34H21FN2O and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole
PubChem CID166850071
Molecular FormulaC34H21FN2O
Molecular Weight492.55 g/mol
Exact Mass492.16
IUPAC Name2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7o6)cc5)cnc4c3)cc2)cc1
InChIInChI=1S/C34H21FN2O/c35-30-17-15-23(16-18-30)22-5-7-24(8-6-22)27-13-14-28-19-29(21-36-32(28)20-27)25-9-11-26(12-10-25)34-37-31-3-1-2-4-33(31)38-34/h1-21H
InChIKeyUUGWKELWHLMEGG-UHFFFAOYSA-N
XLogP9.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole (CID 166850071) is 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole is Fc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7o6)cc5)cnc4c3)cc2)cc1.
What is the InChIKey of 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is UUGWKELWHLMEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21FN2O/c35-30-17-15-23(16-18-30)22-5-7-24(8-6-22)27-13-14-28-19-29(21-36-32(28)20-27)25-9-11-26(12-10-25)34-37-31-3-1-2-4-33(31)38-34/h1-21H.
What are the key properties of 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole has a molecular weight of 492.55 g/mol, XLogP of 9.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4-(4-fluorophenyl)phenyl]quinolin-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 166850071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).