6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid

C14H14BrNO4 — CID 165456340

IUPAC6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid
SMILESCCCOc1nc2c(OC)cc(Br)cc2cc1C(=O)O
InChIInChI=1S/C14H14BrNO4/c1-3-4-20-13-10(14(17)18)6-8-5-9(15)7-11(19-2)12(8)16-13/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyOMNIHQWXVUGBGJ-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.49
Rot. Bonds5

About 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid

6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid (PubChem CID 165456340) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid
PubChem CID165456340
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid
SMILESCCCOc1nc2c(OC)cc(Br)cc2cc1C(=O)O
InChIInChI=1S/C14H14BrNO4/c1-3-4-20-13-10(14(17)18)6-8-5-9(15)7-11(19-2)12(8)16-13/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyOMNIHQWXVUGBGJ-UHFFFAOYSA-N
XLogP3.49
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2,6-Difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid
CID 118870254
3-Bromo-8-(difluoromethoxy)-2-methylquinoline-6-carboxylic acid
CID 169234284
Ethyl 6-bromo-2-(2-ethoxy-2-oxoethoxy)-4-ethyl-8-fluoroquinoline-3-carboxylate
CID 177188490
2-[(4-Bromophenoxy)methyl]-4-methylquinoline-3-carboxylic acid
CID 134693438
2-[(2-Bromophenoxy)methyl]-4-methylquinoline-3-carboxylic acid
CID 134693439
Methyl 4-bromo-8-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
CID 102614343
6-Bromo-5,7-difluoro-2-propoxyquinoline-3-carboxylic acid
CID 165450681
6-Bromo-5-fluoro-8-methyl-2-propoxyquinoline-3-carboxylic acid
CID 165450683
6-Bromo-5,7-difluoro-2-methoxyquinoline-3-carboxylic acid
CID 165453342
6-Bromo-5,8-difluoro-2-methoxyquinoline-3-carboxylic acid
CID 165453343
6-Bromo-8-fluoro-2-methoxy-5-methylquinoline-3-carboxylic acid
CID 165453402
6-Bromo-5-fluoro-2-methoxy-8-methylquinoline-3-carboxylic acid
CID 165453403

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid (CID 165456340) is 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid is CCCOc1nc2c(OC)cc(Br)cc2cc1C(=O)O.
What is the InChIKey of 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid?
The InChIKey is OMNIHQWXVUGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c1-3-4-20-13-10(14(17)18)6-8-5-9(15)7-11(19-2)12(8)16-13/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid?
6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid has a molecular weight of 340.17 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-2-propoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 165456340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).