1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one

C16H11BrClNO2 — CID 110634957

IUPAC1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccccc2Br)c2ccc(Cl)cc21
InChIInChI=1S/C16H11BrClNO2/c17-13-4-2-1-3-11(13)16(21)19-8-7-15(20)12-9-10(18)5-6-14(12)19/h1-6,9H,7-8H2
InChIKeyFXTXFSKEPMIQPH-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.34
Rot. Bonds1

About 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one

1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one (PubChem CID 110634957) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
PubChem CID110634957
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccccc2Br)c2ccc(Cl)cc21
InChIInChI=1S/C16H11BrClNO2/c17-13-4-2-1-3-11(13)16(21)19-8-7-15(20)12-9-10(18)5-6-14(12)19/h1-6,9H,7-8H2
InChIKeyFXTXFSKEPMIQPH-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110406498
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
CID 107939085
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 114343657
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
7-chloro-1-(2-fluoro-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 139795640
(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 103765210

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one (CID 110634957) is 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2ccccc2Br)c2ccc(Cl)cc21.
What is the InChIKey of 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one?
The InChIKey is FXTXFSKEPMIQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c17-13-4-2-1-3-11(13)16(21)19-8-7-15(20)12-9-10(18)5-6-14(12)19/h1-6,9H,7-8H2.
What are the key properties of 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one?
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one has a molecular weight of 364.63 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).