6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one

C14H15N3O3 — CID 23471549

IUPAC6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CO)C(c2ccc3c(c2)CCC(=O)N3)=NN1
InChIInChI=1S/C14H15N3O3/c18-7-10-6-13(20)16-17-14(10)9-1-3-11-8(5-9)2-4-12(19)15-11/h1,3,5,10,18H,2,4,6-7H2,(H,15,19)(H,16,20)
InChIKeyHFKVDQQLFRZWID-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.40
Rot. Bonds2

About 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 23471549) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID23471549
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CO)C(c2ccc3c(c2)CCC(=O)N3)=NN1
InChIInChI=1S/C14H15N3O3/c18-7-10-6-13(20)16-17-14(10)9-1-3-11-8(5-9)2-4-12(19)15-11/h1,3,5,10,18H,2,4,6-7H2,(H,15,19)(H,16,20)
InChIKeyHFKVDQQLFRZWID-UHFFFAOYSA-N
XLogP0.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

ethyl 5-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848640
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
3-ethyl-6-[(6S)-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 70411637
4-bromo-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 116858186
4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid
CID 116858068
4-(hydroxymethyl)-3-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 22157992
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217584
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 146216608
N,N-bis(2-methylpropyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 10809681

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one (CID 23471549) is 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CC(CO)C(c2ccc3c(c2)CCC(=O)N3)=NN1.
What is the InChIKey of 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HFKVDQQLFRZWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-7-10-6-13(20)16-17-14(10)9-1-3-11-8(5-9)2-4-12(19)15-11/h1,3,5,10,18H,2,4,6-7H2,(H,15,19)(H,16,20).
What are the key properties of 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 23471549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).