6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline

C16H16BrN — CID 127051650

IUPAC6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline
SMILESCc1nc2ccc(Br)cc2cc1C1=CCCCC1
InChIInChI=1S/C16H16BrN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h5,7-10H,2-4,6H2,1H3
InChIKeyOWOVZDSARWAWAM-UHFFFAOYSA-N
MW302.21 g/mol
LogP5.26
Rot. Bonds1

About 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline

6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline (PubChem CID 127051650) has the molecular formula C16H16BrN and a molecular weight of 302.21 g/mol. Its IUPAC name is 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline
PubChem CID127051650
Molecular FormulaC16H16BrN
Molecular Weight302.21 g/mol
Exact Mass301.05
IUPAC Name6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline
SMILESCc1nc2ccc(Br)cc2cc1C1=CCCCC1
InChIInChI=1S/C16H16BrN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h5,7-10H,2-4,6H2,1H3
InChIKeyOWOVZDSARWAWAM-UHFFFAOYSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.21
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline?
The IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline (CID 127051650) is 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline.
What is the SMILES notation for 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline?
The canonical SMILES for 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline is Cc1nc2ccc(Br)cc2cc1C1=CCCCC1.
What is the InChIKey of 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline?
The InChIKey is OWOVZDSARWAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h5,7-10H,2-4,6H2,1H3.
What are the key properties of 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline?
6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline has a molecular weight of 302.21 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(cyclohexen-1-yl)-2-methylquinoline is sourced from PubChem (CID 127051650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).