3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine

C13H13BrN2O2 — CID 106949868

IUPAC3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
SMILESNc1ccc(OC2CCOC2)c2ncc(Br)cc12
InChIInChI=1S/C13H13BrN2O2/c14-8-5-10-11(15)1-2-12(13(10)16-6-8)18-9-3-4-17-7-9/h1-2,5-6,9H,3-4,7,15H2
InChIKeyHFBFUWCFKDHOLL-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.75
Rot. Bonds2

About 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine

3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine (PubChem CID 106949868) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
PubChem CID106949868
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
SMILESNc1ccc(OC2CCOC2)c2ncc(Br)cc12
InChIInChI=1S/C13H13BrN2O2/c14-8-5-10-11(15)1-2-12(13(10)16-6-8)18-9-3-4-17-7-9/h1-2,5-6,9H,3-4,7,15H2
InChIKeyHFBFUWCFKDHOLL-UHFFFAOYSA-N
XLogP2.75
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-3-yloxy)naphthalen-1-amine
CID 63690299
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
CID 164962336
4-(oxolan-3-yloxy)quinolin-8-amine
CID 83061222
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
3-bromo-8-N-methyl-8-N-(oxan-3-ylmethyl)quinoline-5,8-diamine
CID 106949377
[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
CID 63558075
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole
CID 171760536
5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63559381
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
CID 106949776

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine (CID 106949868) is 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine is Nc1ccc(OC2CCOC2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine?
The InChIKey is HFBFUWCFKDHOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-8-5-10-11(15)1-2-12(13(10)16-6-8)18-9-3-4-17-7-9/h1-2,5-6,9H,3-4,7,15H2.
What are the key properties of 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine?
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine has a molecular weight of 309.16 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine is sourced from PubChem (CID 106949868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).