6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C20H19N3O3 — CID 147431394

IUPAC6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCC(=O)C(=C(C)N)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O
InChIInChI=1S/C20H19N3O3/c1-12(21)20(13(2)24)16-9-14-6-7-19(26)23(17(14)10-18(16)25)11-15-5-3-4-8-22-15/h3-10,25H,11,21H2,1-2H3
InChIKeyAMCPXUMOGZDQSD-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.43
Rot. Bonds4

About 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one

6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 147431394) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID147431394
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCC(=O)C(=C(C)N)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O
InChIInChI=1S/C20H19N3O3/c1-12(21)20(13(2)24)16-9-14-6-7-19(26)23(17(14)10-18(16)25)11-15-5-3-4-8-22-15/h3-10,25H,11,21H2,1-2H3
InChIKeyAMCPXUMOGZDQSD-UHFFFAOYSA-N
XLogP2.43
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 147431394) is 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one is CC(=O)C(=C(C)N)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O.
What is the InChIKey of 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is AMCPXUMOGZDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12(21)20(13(2)24)16-9-14-6-7-19(26)23(17(14)10-18(16)25)11-15-5-3-4-8-22-15/h3-10,25H,11,21H2,1-2H3.
What are the key properties of 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-oxopent-2-en-3-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 147431394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).