10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one

C12H10BrN3O — CID 50877378

IUPAC10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
SMILESO=C1NCCNc2c1cnc1ccc(Br)cc21
InChIInChI=1S/C12H10BrN3O/c13-7-1-2-10-8(5-7)11-9(6-16-10)12(17)15-4-3-14-11/h1-2,5-6,14H,3-4H2,(H,15,17)
InChIKeyAQJSKARJFWTBHG-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.15
Rot. Bonds

About 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one

10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one (PubChem CID 50877378) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one.

Molecular Properties

Compound Name10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
PubChem CID50877378
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
SMILESO=C1NCCNc2c1cnc1ccc(Br)cc21
InChIInChI=1S/C12H10BrN3O/c13-7-1-2-10-8(5-7)11-9(6-16-10)12(17)15-4-3-14-11/h1-2,5-6,14H,3-4H2,(H,15,17)
InChIKeyAQJSKARJFWTBHG-UHFFFAOYSA-N
XLogP2.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 447089
Azakenpaullone
CID 6538897
3-Quinolinecarboxamide
CID 15561101
8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 44384605
4-bromo-N-quinolin-7-ylbenzamide
CID 831408
2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 13093669
8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 102167791
3-bromo-N-quinolin-5-ylbenzamide
CID 930554
2-(3-bromophenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 5182253
7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 10809265
Benzo(c)(2,7)naphthyridin-4(3H)-one
CID 5748566
5-bromo-N-(8-quinolinyl)nicotinamide
CID 837055

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
The IUPAC name of 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one (CID 50877378) is 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one.
What is the SMILES notation for 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
The canonical SMILES for 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one is O=C1NCCNc2c1cnc1ccc(Br)cc21.
What is the InChIKey of 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
The InChIKey is AQJSKARJFWTBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-7-1-2-10-8(5-7)11-9(6-16-10)12(17)15-4-3-14-11/h1-2,5-6,14H,3-4H2,(H,15,17).
What are the key properties of 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one?
10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one has a molecular weight of 292.14 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one is sourced from PubChem (CID 50877378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).