6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile

C12H9BrN2O — CID 165460783

IUPAC6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCc1cc(Br)cc2cc(C#N)c(=O)[nH]c12
InChIInChI=1S/C12H9BrN2O/c1-2-7-4-10(13)5-8-3-9(6-14)12(16)15-11(7)8/h3-5H,2H2,1H3,(H,15,16)
InChIKeyNBQGPIMBWQRZQC-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.72
Rot. Bonds1

About 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile

6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 165460783) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID165460783
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCc1cc(Br)cc2cc(C#N)c(=O)[nH]c12
InChIInChI=1S/C12H9BrN2O/c1-2-7-4-10(13)5-8-3-9(6-14)12(16)15-11(7)8/h3-5H,2H2,1H3,(H,15,16)
InChIKeyNBQGPIMBWQRZQC-UHFFFAOYSA-N
XLogP2.72
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Bromo-1,2-dihydroquinolin-2-one
CID 10933094
N-(4-bromo-2-ethylphenyl)acetamide
CID 2735223
6-Bromoquinolin-2(1H)-one
CID 12378943
6-Bromo-8-methylquinolin-2(1H)-one
CID 13836183
6-bromo-4-phenyl-1H-quinolin-2-one
CID 766575
3,6-Dibromoquinolin-2(1h)-one
CID 268291
N-(4-bromo-2,6-dimethylphenyl)pentanamide
CID 1721836
4-(Bromomethyl)-8-methylquinolin-2(1h)-one
CID 285614
2',6'-Propionoxylidide, 4'-bromo-3-(diethylamino)-
CID 204836
6-Bromo-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CID 14221027
N-(4-bromo-2,6-dimethylphenyl)-4-cyano-2-fluorobenzamide
CID 886305
N-(4-bromo-2,6-dimethylphenyl)benzamide
CID 853809

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile (CID 165460783) is 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile is CCc1cc(Br)cc2cc(C#N)c(=O)[nH]c12.
What is the InChIKey of 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is NBQGPIMBWQRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c1-2-7-4-10(13)5-8-3-9(6-14)12(16)15-11(7)8/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile?
6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 277.12 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 165460783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).