3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline

C22H13BrN2O — CID 23643189

IUPAC3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
SMILESBrc1ccc(-c2onc3c2c(-c2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C22H13BrN2O/c23-16-12-10-15(11-13-16)22-19-20(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)21(19)25-26-22/h1-13H
InChIKeyZUZCRLWOGZHSRW-UHFFFAOYSA-N
MW401.26 g/mol
LogP6.47
Rot. Bonds2

About 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline

3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline (PubChem CID 23643189) has the molecular formula C22H13BrN2O and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
PubChem CID23643189
Molecular FormulaC22H13BrN2O
Molecular Weight401.26 g/mol
Exact Mass400.02
IUPAC Name3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
SMILESBrc1ccc(-c2onc3c2c(-c2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C22H13BrN2O/c23-16-12-10-15(11-13-16)22-19-20(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)21(19)25-26-22/h1-13H
InChIKeyZUZCRLWOGZHSRW-UHFFFAOYSA-N
XLogP6.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.26
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
6-(4-bromophenyl)quinolino[2,3-c]quinoline
CID 122472002
3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 54613569
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
2-[4-(4-bromophenyl)phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
CID 153490097
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
14-(4-bromophenyl)-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155632538
3-phenyl-[1]benzofuro[3,2-c][1,2]oxazole
CID 138857516
21-(4-bromophenyl)-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475345
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
10-(4-bromophenyl)-9-azahexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 163741224
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
CID 164716769

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline (CID 23643189) is 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline is Brc1ccc(-c2onc3c2c(-c2ccccc2)nc2ccccc23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
The InChIKey is ZUZCRLWOGZHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2O/c23-16-12-10-15(11-13-16)22-19-20(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)21(19)25-26-22/h1-13H.
What are the key properties of 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline has a molecular weight of 401.26 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline is sourced from PubChem (CID 23643189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).