4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid

C19H19N3O3 — CID 167837707

IUPAC4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid
SMILESCC(c1ccc(C(=O)O)cc1)n1ncc2c(cc3n2CCCC3)c1=O
InChIInChI=1S/C19H19N3O3/c1-12(13-5-7-14(8-6-13)19(24)25)22-18(23)16-10-15-4-2-3-9-21(15)17(16)11-20-22/h5-8,10-12H,2-4,9H2,1H3,(H,24,25)
InChIKeyHMOHPGZSJGNDCG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds3

About 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid

4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid (PubChem CID 167837707) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid
PubChem CID167837707
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid
SMILESCC(c1ccc(C(=O)O)cc1)n1ncc2c(cc3n2CCCC3)c1=O
InChIInChI=1S/C19H19N3O3/c1-12(13-5-7-14(8-6-13)19(24)25)22-18(23)16-10-15-4-2-3-9-21(15)17(16)11-20-22/h5-8,10-12H,2-4,9H2,1H3,(H,24,25)
InChIKeyHMOHPGZSJGNDCG-UHFFFAOYSA-N
XLogP2.84
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid with MolForge

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Related Compounds

2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one
CID 123171177
2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one
CID 58043966
2-bromo-4-fluoro-6-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)benzaldehyde
CID 86683770
13-oxo-N-(2-propan-2-ylpyrazol-3-yl)-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 30184520
(2R)-2-(7-bromo-1-oxophthalazin-2-yl)propanoic acid
CID 97179734
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 130429439
N-[1-(4-ethylphenyl)-2-methylpropyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 45355620
6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid
CID 82409594
4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one
CID 67981962
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid?
The IUPAC name of 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid (CID 167837707) is 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid.
What is the SMILES notation for 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid?
The canonical SMILES for 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid is CC(c1ccc(C(=O)O)cc1)n1ncc2c(cc3n2CCCC3)c1=O.
What is the InChIKey of 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid?
The InChIKey is HMOHPGZSJGNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(13-5-7-14(8-6-13)19(24)25)22-18(23)16-10-15-4-2-3-9-21(15)17(16)11-20-22/h5-8,10-12H,2-4,9H2,1H3,(H,24,25).
What are the key properties of 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid?
4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid is sourced from PubChem (CID 167837707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).