9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline

C15H15BrN2 — CID 144742743

IUPAC9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline
SMILESBrc1ccc2ncc3c(c2c1)CCC1CCCN31
InChIInChI=1S/C15H15BrN2/c16-10-3-6-14-13(8-10)12-5-4-11-2-1-7-18(11)15(12)9-17-14/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeyULZKTVDUHKECJG-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.91
Rot. Bonds

About 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline

9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline (PubChem CID 144742743) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline.

Molecular Properties

Compound Name9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline
PubChem CID144742743
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline
SMILESBrc1ccc2ncc3c(c2c1)CCC1CCCN31
InChIInChI=1S/C15H15BrN2/c16-10-3-6-14-13(8-10)12-5-4-11-2-1-7-18(11)15(12)9-17-14/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeyULZKTVDUHKECJG-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039
8-bromo-1-(3-methoxycyclohexyl)-3-methyl-2H-imidazo[4,5-c]quinoline
CID 129121268
6-bromo-1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
CID 2836469
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133378664
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
CID 171525009
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline
CID 167936998
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433
8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523352

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline?
The IUPAC name of 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline (CID 144742743) is 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline.
What is the SMILES notation for 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline?
The canonical SMILES for 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline is Brc1ccc2ncc3c(c2c1)CCC1CCCN31.
What is the InChIKey of 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline?
The InChIKey is ULZKTVDUHKECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c16-10-3-6-14-13(8-10)12-5-4-11-2-1-7-18(11)15(12)9-17-14/h3,6,8-9,11H,1-2,4-5,7H2.
What are the key properties of 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline?
9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline has a molecular weight of 303.20 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,2,3,11,12,12a-hexahydroindolizino[5,6-c]quinoline is sourced from PubChem (CID 144742743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).