6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one

C9H9BrN2O — CID 117209588

IUPAC6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Br)NC(=O)CC2
InChIInChI=1S/C9H9BrN2O/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h3-4H,1-2,11H2,(H,12,13)
InChIKeyLMXJFUGCSMBIDE-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.92
Rot. Bonds

About 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one

6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117209588) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
PubChem CID117209588
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Br)NC(=O)CC2
InChIInChI=1S/C9H9BrN2O/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h3-4H,1-2,11H2,(H,12,13)
InChIKeyLMXJFUGCSMBIDE-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43455503
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82805294
6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43555546
6-amino-7-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 61297339
6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115557423
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82804474
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one (CID 117209588) is 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Br)NC(=O)CC2.
What is the InChIKey of 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LMXJFUGCSMBIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h3-4H,1-2,11H2,(H,12,13).
What are the key properties of 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117209588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).