6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid

C15H13N3O3 — CID 79231197

IUPAC6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(Cc2ccnc3ccccc23)C(=O)CC1
InChIInChI=1S/C15H13N3O3/c19-14-6-5-13(15(20)21)17-18(14)9-10-7-8-16-12-4-2-1-3-11(10)12/h1-4,7-8H,5-6,9H2,(H,20,21)
InChIKeyRFWOBPGHFAOGFM-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.80
Rot. Bonds3

About 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 79231197) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID79231197
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(Cc2ccnc3ccccc23)C(=O)CC1
InChIInChI=1S/C15H13N3O3/c19-14-6-5-13(15(20)21)17-18(14)9-10-7-8-16-12-4-2-1-3-11(10)12/h1-4,7-8H,5-6,9H2,(H,20,21)
InChIKeyRFWOBPGHFAOGFM-UHFFFAOYSA-N
XLogP1.80
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641
1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563770
2-(quinolin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 69047243
4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-2-one
CID 168703096
1-[(3,4-difluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82918485
1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
CID 104601300
1-[(5-bromo-3-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 104798862
1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60555152
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid (CID 79231197) is 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(Cc2ccnc3ccccc23)C(=O)CC1.
What is the InChIKey of 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is RFWOBPGHFAOGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14-6-5-13(15(20)21)17-18(14)9-10-7-8-16-12-4-2-1-3-11(10)12/h1-4,7-8H,5-6,9H2,(H,20,21).
What are the key properties of 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 79231197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).