1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione

C15H14BrN3O2 — CID 116785723

IUPAC1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(c2cccc3cc(Br)cnc23)C1=O
InChIInChI=1S/C15H14BrN3O2/c1-9-15(21)19(6-5-13(20)18-9)12-4-2-3-10-7-11(16)8-17-14(10)12/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyKTHROBRPTGZHNR-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.24
Rot. Bonds1

About 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione

1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 116785723) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione
PubChem CID116785723
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(c2cccc3cc(Br)cnc23)C1=O
InChIInChI=1S/C15H14BrN3O2/c1-9-15(21)19(6-5-13(20)18-9)12-4-2-3-10-7-11(16)8-17-14(10)12/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyKTHROBRPTGZHNR-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-bromoquinolin-8-yl)piperidin-2-one
CID 116785604
1-(3-bromoquinolin-8-yl)imidazolidin-2-one
CID 116784875
1-(4-bromo-2-chlorophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963380
3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
CID 107841893
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
CID 64957081
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64963684
1-(3-bromoquinolin-8-yl)-2-methylpiperidin-4-amine
CID 116784942
1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64965372
1-(2-chloro-4-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 107604189
1-(3-ethylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959166
3-bromo-8-(2-ethyl-5-methylpiperazin-1-yl)quinoline
CID 116785676
1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
CID 116785617

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione (CID 116785723) is 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(c2cccc3cc(Br)cnc23)C1=O.
What is the InChIKey of 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is KTHROBRPTGZHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-9-15(21)19(6-5-13(20)18-9)12-4-2-3-10-7-11(16)8-17-14(10)12/h2-4,7-9H,5-6H2,1H3,(H,18,20).
What are the key properties of 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione?
1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 348.20 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 116785723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).