4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide

C21H17BrN2O2 — CID 102245752

IUPAC4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide
SMILESCN1C(=O)C(NC(=O)c2ccc(Br)cc2)Cc2c1ccc1ccccc21
InChIInChI=1S/C21H17BrN2O2/c1-24-19-11-8-13-4-2-3-5-16(13)17(19)12-18(21(24)26)23-20(25)14-6-9-15(22)10-7-14/h2-11,18H,12H2,1H3,(H,23,25)
InChIKeyNMORABVAHMYNCQ-UHFFFAOYSA-N
MW409.28 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide

4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide (PubChem CID 102245752) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide
PubChem CID102245752
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide
SMILESCN1C(=O)C(NC(=O)c2ccc(Br)cc2)Cc2c1ccc1ccccc21
InChIInChI=1S/C21H17BrN2O2/c1-24-19-11-8-13-4-2-3-5-16(13)17(19)12-18(21(24)26)23-20(25)14-6-9-15(22)10-7-14/h2-11,18H,12H2,1H3,(H,23,25)
InChIKeyNMORABVAHMYNCQ-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methylbenzamide
CID 102022723
N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide
CID 102022722
(2S)-2-[(2S)-2-acetamido-3-oxo-1,2-dihydrobenzo[f]quinolin-4-yl]propanamide
CID 101270585
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 81307054
5-bromo-2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 107729779
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 821679
(4-bromophenyl)-[(2S)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methanone
CID 162647542
N-[(3S)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide
CID 175532309
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
N-(1-methyl-2,6-dioxopiperidin-4-yl)benzamide
CID 523504
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide (CID 102245752) is 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide is CN1C(=O)C(NC(=O)c2ccc(Br)cc2)Cc2c1ccc1ccccc21.
What is the InChIKey of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
The InChIKey is NMORABVAHMYNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-24-19-11-8-13-4-2-3-5-16(13)17(19)12-18(21(24)26)23-20(25)14-6-9-15(22)10-7-14/h2-11,18H,12H2,1H3,(H,23,25).
What are the key properties of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide has a molecular weight of 409.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide is sourced from PubChem (CID 102245752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).