8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile

C11H11BrN2 — CID 83760267

IUPAC8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile
SMILESCN1CCC(C#N)c2cccc(Br)c21
InChIInChI=1S/C11H11BrN2/c1-14-6-5-8(7-13)9-3-2-4-10(12)11(9)14/h2-4,8H,5-6H2,1H3
InChIKeyZPVRJBDYZHRFMJ-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.90
Rot. Bonds

About 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile

8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile (PubChem CID 83760267) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile.

Molecular Properties

Compound Name8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile
PubChem CID83760267
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile
SMILESCN1CCC(C#N)c2cccc(Br)c21
InChIInChI=1S/C11H11BrN2/c1-14-6-5-8(7-13)9-3-2-4-10(12)11(9)14/h2-4,8H,5-6H2,1H3
InChIKeyZPVRJBDYZHRFMJ-UHFFFAOYSA-N
XLogP2.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-isocyanato-1-methyl-3,4-dihydro-2H-quinoline
CID 83844594
5-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 83823671
7-bromo-N,1-dimethyl-2,3-dihydroindol-3-amine
CID 83758541
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
9-methyl-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82241028
2-[4-(5-amino-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-bromobenzonitrile
CID 169246680
1-methyl-8-propan-2-yl-3,4-dihydro-2H-quinolin-4-amine
CID 82276293
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228
3-bromo-2-piperidin-1-ylbenzonitrile
CID 171316325
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile
CID 130115210
8-methoxy-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 23008911
4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 90169120

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
The IUPAC name of 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile (CID 83760267) is 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile.
What is the SMILES notation for 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
The canonical SMILES for 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile is CN1CCC(C#N)c2cccc(Br)c21.
What is the InChIKey of 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
The InChIKey is ZPVRJBDYZHRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-14-6-5-8(7-13)9-3-2-4-10(12)11(9)14/h2-4,8H,5-6H2,1H3.
What are the key properties of 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile has a molecular weight of 251.13 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile is sourced from PubChem (CID 83760267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).