methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate

C15H14BrNO2 — CID 102614384

IUPACmethyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c3c(ccc2c1Br)CCCC3
InChIInChI=1S/C15H14BrNO2/c1-19-15(18)12-8-17-14-10-5-3-2-4-9(10)6-7-11(14)13(12)16/h6-8H,2-5H2,1H3
InChIKeyLLDCPILQMHLLRB-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.66
Rot. Bonds1

About methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate

methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate (PubChem CID 102614384) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate
PubChem CID102614384
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namemethyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c3c(ccc2c1Br)CCCC3
InChIInChI=1S/C15H14BrNO2/c1-19-15(18)12-8-17-14-10-5-3-2-4-9(10)6-7-11(14)13(12)16/h6-8H,2-5H2,1H3
InChIKeyLLDCPILQMHLLRB-UHFFFAOYSA-N
XLogP3.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate with MolForge

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Related Compounds

methyl 4-bromo-8-(difluoromethoxy)quinoline-3-carboxylate
CID 102614445
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
methyl 4-bromo-6-iodoquinoline-3-carboxylate
CID 102614458
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11521576
methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 71302068
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
CID 102614363
methyl bicyclo[6.2.2]dodeca-1(10),8,11-triene-9-carboxylate
CID 13082513
dimethyl tricyclo[16.2.2.28,11]tetracosa-1(20),8,10,18,21,23-hexaene-9,19-dicarboxylate
CID 44725366
methyl bicyclo[8.2.2]tetradeca-1(12),10,13-triene-11-carboxylate
CID 14957120
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate?
The IUPAC name of methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate (CID 102614384) is methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate?
The canonical SMILES for methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate is COC(=O)c1cnc2c3c(ccc2c1Br)CCCC3.
What is the InChIKey of methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate?
The InChIKey is LLDCPILQMHLLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-15(18)12-8-17-14-10-5-3-2-4-9(10)6-7-11(14)13(12)16/h6-8H,2-5H2,1H3.
What are the key properties of methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate?
methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate has a molecular weight of 320.19 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-7,8,9,10-tetrahydrobenzo[h]quinoline-3-carboxylate is sourced from PubChem (CID 102614384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).