4-amino-6-bromoquinoline-3-carboxylic acid;oxolane

C14H15BrN2O3 — CID 144956377

IUPAC4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
SMILESC1CCOC1.Nc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O2.C4H8O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;1-2-4-5-3-1/h1-4H,(H2,12,13)(H,14,15);1-4H2
InChIKeyBPUCPSGJSHXTBE-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.07
Rot. Bonds1

About 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane

4-amino-6-bromoquinoline-3-carboxylic acid;oxolane (PubChem CID 144956377) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane.

Molecular Properties

Compound Name4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
PubChem CID144956377
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
SMILESC1CCOC1.Nc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O2.C4H8O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;1-2-4-5-3-1/h1-4H,(H2,12,13)(H,14,15);1-4H2
InChIKeyBPUCPSGJSHXTBE-UHFFFAOYSA-N
XLogP3.07
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane?
The IUPAC name of 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane (CID 144956377) is 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane.
What is the SMILES notation for 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane?
The canonical SMILES for 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane is C1CCOC1.Nc1c(C(=O)O)cnc2ccc(Br)cc12.
What is the InChIKey of 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane?
The InChIKey is BPUCPSGJSHXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2.C4H8O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;1-2-4-5-3-1/h1-4H,(H2,12,13)(H,14,15);1-4H2.
What are the key properties of 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane?
4-amino-6-bromoquinoline-3-carboxylic acid;oxolane has a molecular weight of 339.19 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromoquinoline-3-carboxylic acid;oxolane is sourced from PubChem (CID 144956377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).