(3-oxo-2,4-dihydroquinolin-1-yl) formate

C10H9NO3 — CID 57318246

IUPAC(3-oxo-2,4-dihydroquinolin-1-yl) formate
SMILESO=CON1CC(=O)Cc2ccccc21
InChIInChI=1S/C10H9NO3/c12-7-14-11-6-9(13)5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2
InChIKeyZGTUXUVJGGPFGD-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.71
Rot. Bonds2

About (3-oxo-2,4-dihydroquinolin-1-yl) formate

(3-oxo-2,4-dihydroquinolin-1-yl) formate (PubChem CID 57318246) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3-oxo-2,4-dihydroquinolin-1-yl) formate.

Molecular Properties

Compound Name(3-oxo-2,4-dihydroquinolin-1-yl) formate
PubChem CID57318246
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(3-oxo-2,4-dihydroquinolin-1-yl) formate
SMILESO=CON1CC(=O)Cc2ccccc21
InChIInChI=1S/C10H9NO3/c12-7-14-11-6-9(13)5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2
InChIKeyZGTUXUVJGGPFGD-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-quinolone
CID 22323517
3(1H)Quinolinon
CID 23433512
1-Oxo-2,4-dihydroquinolin-1-ium-3-one;2,2,2-trifluoroacetic acid
CID 88134475
(1-Oxido-3-oxo-2,4-dihydroquinolin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 88134476
1-Fluoro-2,4-dihydroquinolin-3-one
CID 91514396
7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one
CID 166667213
1-fluoro-3,4-dihydro-2H-quinoline-2-carbaldehyde
CID 174697946
2-Fluoro-1-methyl-3,4-dihydroquinoline-2-carbaldehyde
CID 174841754
2-Fluoro-1-propyl-3,4-dihydroquinoline-2-carbaldehyde
CID 174908993
1-Hydroxy-3-oxo-2,4-dihydroquinoline-2-carboxamide
CID 90864518
N-allylquinolinedione
CID 129877658
3-Oxo-2,4-dihydroquinoline-1-carbaldehyde
CID 134968687

Frequently Asked Questions

What is the IUPAC name of (3-oxo-2,4-dihydroquinolin-1-yl) formate?
The IUPAC name of (3-oxo-2,4-dihydroquinolin-1-yl) formate (CID 57318246) is (3-oxo-2,4-dihydroquinolin-1-yl) formate.
What is the SMILES notation for (3-oxo-2,4-dihydroquinolin-1-yl) formate?
The canonical SMILES for (3-oxo-2,4-dihydroquinolin-1-yl) formate is O=CON1CC(=O)Cc2ccccc21.
What is the InChIKey of (3-oxo-2,4-dihydroquinolin-1-yl) formate?
The InChIKey is ZGTUXUVJGGPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-7-14-11-6-9(13)5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2.
What are the key properties of (3-oxo-2,4-dihydroquinolin-1-yl) formate?
(3-oxo-2,4-dihydroquinolin-1-yl) formate has a molecular weight of 191.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2,4-dihydroquinolin-1-yl) formate is sourced from PubChem (CID 57318246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).