4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one

C15H18BrNO — CID 67530268

IUPAC4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCc3cc(Br)ccc3N2)CC1
InChIInChI=1S/C15H18BrNO/c16-12-4-8-15-11(9-12)3-7-14(17-15)10-1-5-13(18)6-2-10/h4,8-10,14,17H,1-3,5-7H2
InChIKeyYULTUWUZWYPGTE-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.94
Rot. Bonds1

About 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one

4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one (PubChem CID 67530268) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one
PubChem CID67530268
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCc3cc(Br)ccc3N2)CC1
InChIInChI=1S/C15H18BrNO/c16-12-4-8-15-11(9-12)3-7-14(17-15)10-1-5-13(18)6-2-10/h4,8-10,14,17H,1-3,5-7H2
InChIKeyYULTUWUZWYPGTE-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one (CID 67530268) is 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one is O=C1CCC(C2CCc3cc(Br)ccc3N2)CC1.
What is the InChIKey of 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one?
The InChIKey is YULTUWUZWYPGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-12-4-8-15-11(9-12)3-7-14(17-15)10-1-5-13(18)6-2-10/h4,8-10,14,17H,1-3,5-7H2.
What are the key properties of 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one?
4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one has a molecular weight of 308.22 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 67530268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).