6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid

C13H9Br2NO3 — CID 60985694

IUPAC6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
SMILESO=C(O)c1c2c(nc3c(Br)cc(Br)cc13)CCOC2
InChIInChI=1S/C13H9Br2NO3/c14-6-3-7-11(13(17)18)8-5-19-2-1-10(8)16-12(7)9(15)4-6/h3-4H,1-2,5H2,(H,17,18)
InChIKeyQTZMVLOFBQIEIV-UHFFFAOYSA-N
MW387.03 g/mol
LogP3.53
Rot. Bonds1

About 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid

6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid (PubChem CID 60985694) has the molecular formula C13H9Br2NO3 and a molecular weight of 387.03 g/mol. Its IUPAC name is 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid.

Molecular Properties

Compound Name6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
PubChem CID60985694
Molecular FormulaC13H9Br2NO3
Molecular Weight387.03 g/mol
Exact Mass384.89
IUPAC Name6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
SMILESO=C(O)c1c2c(nc3c(Br)cc(Br)cc13)CCOC2
InChIInChI=1S/C13H9Br2NO3/c14-6-3-7-11(13(17)18)8-5-19-2-1-10(8)16-12(7)9(15)4-6/h3-4H,1-2,5H2,(H,17,18)
InChIKeyQTZMVLOFBQIEIV-UHFFFAOYSA-N
XLogP3.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dibromo-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462327
7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 55192211
7-hydroxy-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
CID 136968132
6,8-dibromo-2-cyclopropyl-3-methylquinoline-4-carboxylic acid
CID 64918782
8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473049
7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 65046431
8-bromo-10-chloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471013
6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid
CID 103083182
8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 114002088
5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164610341
5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 164619344
5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63463144

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid?
The IUPAC name of 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid (CID 60985694) is 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid.
What is the SMILES notation for 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid?
The canonical SMILES for 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid is O=C(O)c1c2c(nc3c(Br)cc(Br)cc13)CCOC2.
What is the InChIKey of 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid?
The InChIKey is QTZMVLOFBQIEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3/c14-6-3-7-11(13(17)18)8-5-19-2-1-10(8)16-12(7)9(15)4-6/h3-4H,1-2,5H2,(H,17,18).
What are the key properties of 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid?
6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid has a molecular weight of 387.03 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid is sourced from PubChem (CID 60985694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).