5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one

C10H12N2O2 — CID 15045572

IUPAC5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one
SMILESCOc1ccc(N)c2c1NCCC2=O
InChIInChI=1S/C10H12N2O2/c1-14-8-3-2-6(11)9-7(13)4-5-12-10(8)9/h2-3,12H,4-5,11H2,1H3
InChIKeyFLXWBFAHJLOHIC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.28
Rot. Bonds1

About 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one

5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one (PubChem CID 15045572) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one
PubChem CID15045572
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one
SMILESCOc1ccc(N)c2c1NCCC2=O
InChIInChI=1S/C10H12N2O2/c1-14-8-3-2-6(11)9-7(13)4-5-12-10(8)9/h2-3,12H,4-5,11H2,1H3
InChIKeyFLXWBFAHJLOHIC-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one (CID 15045572) is 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one is COc1ccc(N)c2c1NCCC2=O.
What is the InChIKey of 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is FLXWBFAHJLOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-8-3-2-6(11)9-7(13)4-5-12-10(8)9/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one?
5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 15045572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).