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

C22H15BrN2O — CID 23643193

IUPAC3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline
SMILESBrc1ccc(C2ONc3c2c(-c2ccccc2)nc2ccccc32)cc1
InChIInChI=1S/C22H15BrN2O/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/h1-13,22,25H
InChIKeyIYCAGLFRTAGOAO-UHFFFAOYSA-N
MW403.28 g/mol
LogP6.11
Rot. Bonds2

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

3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline (PubChem CID 23643193) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline
PubChem CID23643193
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline
SMILESBrc1ccc(C2ONc3c2c(-c2ccccc2)nc2ccccc32)cc1
InChIInChI=1S/C22H15BrN2O/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/h1-13,22,25H
InChIKeyIYCAGLFRTAGOAO-UHFFFAOYSA-N
XLogP6.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
(6S)-6,7-diphenyl-6H-chromeno[4,3-b]quinoline
CID 8966307
3-(4-bromophenyl)-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
CID 23643189
10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene
CID 121476066
6-(4-bromophenyl)quinolino[2,3-c]quinoline
CID 122472002
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-bromo-4-phenoxy-2-phenylquinoline
CID 164676381
2-[4-(4-bromophenyl)phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
CID 153490097
6-phenyl-7-(3,4,5-trimethoxyphenyl)-7,13-dihydroquinolino[4,3-b][1]benzazepin-8-one
CID 138969676
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
CID 153437761

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline (CID 23643193) is 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline is Brc1ccc(C2ONc3c2c(-c2ccccc2)nc2ccccc32)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline?
The InChIKey is IYCAGLFRTAGOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/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/h1-13,22,25H.
What are the key properties of 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline?
3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline has a molecular weight of 403.28 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-phenyl-1,3-dihydro-[1,2]oxazolo[4,3-c]quinoline is sourced from PubChem (CID 23643193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).