10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one

C22H12BrNO — CID 153437761

IUPAC10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
SMILESO=C1c2ccccc2-c2nc3ccccc3c(-c3ccc(Br)cc3)c21
InChIInChI=1S/C22H12BrNO/c23-14-11-9-13(10-12-14)19-17-7-3-4-8-18(17)24-21-15-5-1-2-6-16(15)22(25)20(19)21/h1-12H
InChIKeyPSAOARRLBNRZPZ-UHFFFAOYSA-N
MW386.25 g/mol
LogP5.88
Rot. Bonds1

About 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one

10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one (PubChem CID 153437761) has the molecular formula C22H12BrNO and a molecular weight of 386.25 g/mol. Its IUPAC name is 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one.

Molecular Properties

Compound Name10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
PubChem CID153437761
Molecular FormulaC22H12BrNO
Molecular Weight386.25 g/mol
Exact Mass385.01
IUPAC Name10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
SMILESO=C1c2ccccc2-c2nc3ccccc3c(-c3ccc(Br)cc3)c21
InChIInChI=1S/C22H12BrNO/c23-14-11-9-13(10-12-14)19-17-7-3-4-8-18(17)24-21-15-5-1-2-6-16(15)22(25)20(19)21/h1-12H
InChIKeyPSAOARRLBNRZPZ-UHFFFAOYSA-N
XLogP5.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-phenylmethanone;indene-1,3-dione;10-phenylindeno[1,2-b]quinolin-11-one
CID 159631481
3,4-bis(4-bromophenyl)quinolin-2-amine
CID 166443638
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
12-(4-fluorophenyl)-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-one
CID 102049313
2,20-bis(4-bromophenyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
CID 136688369
10-chloro-8-hydroxyindeno[1,2-b]quinolin-11-one
CID 19081815
12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline
CID 169081927
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
11-bromobenzo[b]triphenylene-9,14-dione
CID 58151206
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one?
The IUPAC name of 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one (CID 153437761) is 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one.
What is the SMILES notation for 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one?
The canonical SMILES for 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one is O=C1c2ccccc2-c2nc3ccccc3c(-c3ccc(Br)cc3)c21.
What is the InChIKey of 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one?
The InChIKey is PSAOARRLBNRZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrNO/c23-14-11-9-13(10-12-14)19-17-7-3-4-8-18(17)24-21-15-5-1-2-6-16(15)22(25)20(19)21/h1-12H.
What are the key properties of 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one?
10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one has a molecular weight of 386.25 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one is sourced from PubChem (CID 153437761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).