(5-aminoquinolin-6-yl) hydrogen carbonate

C10H8N2O3 — CID 70482347

IUPAC(5-aminoquinolin-6-yl) hydrogen carbonate
SMILESNc1c(OC(=O)O)ccc2ncccc12
InChIInChI=1S/C10H8N2O3/c11-9-6-2-1-5-12-7(6)3-4-8(9)15-10(13)14/h1-5H,11H2,(H,13,14)
InChIKeyDGJCVHDBVLZUMU-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.87
Rot. Bonds1

About (5-aminoquinolin-6-yl) hydrogen carbonate

(5-aminoquinolin-6-yl) hydrogen carbonate (PubChem CID 70482347) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is (5-aminoquinolin-6-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-aminoquinolin-6-yl) hydrogen carbonate
PubChem CID70482347
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name(5-aminoquinolin-6-yl) hydrogen carbonate
SMILESNc1c(OC(=O)O)ccc2ncccc12
InChIInChI=1S/C10H8N2O3/c11-9-6-2-1-5-12-7(6)3-4-8(9)15-10(13)14/h1-5H,11H2,(H,13,14)
InChIKeyDGJCVHDBVLZUMU-UHFFFAOYSA-N
XLogP1.87
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-aminoquinoline-6-carboxylic acid
CID 13221190
6-phenylmethoxyquinolin-5-amine
CID 43809775
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
6-(4,4,4-trifluorobutoxy)quinolin-5-amine
CID 82788005
6-(3-methoxyphenoxy)quinolin-5-amine
CID 43809791
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
CID 107655430
6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
CID 107655292
6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
CID 107722598
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
6-(2-pyrrolidin-1-ylethoxy)quinolin-5-amine
CID 61102865
(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
CID 11805473
6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883

Frequently Asked Questions

What is the IUPAC name of (5-aminoquinolin-6-yl) hydrogen carbonate?
The IUPAC name of (5-aminoquinolin-6-yl) hydrogen carbonate (CID 70482347) is (5-aminoquinolin-6-yl) hydrogen carbonate.
What is the SMILES notation for (5-aminoquinolin-6-yl) hydrogen carbonate?
The canonical SMILES for (5-aminoquinolin-6-yl) hydrogen carbonate is Nc1c(OC(=O)O)ccc2ncccc12.
What is the InChIKey of (5-aminoquinolin-6-yl) hydrogen carbonate?
The InChIKey is DGJCVHDBVLZUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-9-6-2-1-5-12-7(6)3-4-8(9)15-10(13)14/h1-5H,11H2,(H,13,14).
What are the key properties of (5-aminoquinolin-6-yl) hydrogen carbonate?
(5-aminoquinolin-6-yl) hydrogen carbonate has a molecular weight of 204.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminoquinolin-6-yl) hydrogen carbonate is sourced from PubChem (CID 70482347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).