2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H23N3O3 — CID 126939365

IUPAC2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCOc1ccc(CNC2COCC2n2nc3c(cc2=O)CCC3)cc1
InChIInChI=1S/C19H23N3O3/c1-24-15-7-5-13(6-8-15)10-20-17-11-25-12-18(17)22-19(23)9-14-3-2-4-16(14)21-22/h5-9,17-18,20H,2-4,10-12H2,1H3
InChIKeyKWUGMDVGLQHCDT-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126939365) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126939365
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCOc1ccc(CNC2COCC2n2nc3c(cc2=O)CCC3)cc1
InChIInChI=1S/C19H23N3O3/c1-24-15-7-5-13(6-8-15)10-20-17-11-25-12-18(17)22-19(23)9-14-3-2-4-16(14)21-22/h5-9,17-18,20H,2-4,10-12H2,1H3
InChIKeyKWUGMDVGLQHCDT-UHFFFAOYSA-N
XLogP1.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939579
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939376
2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939567
2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939335
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126939204
2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939505
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939250

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126939365) is 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is COc1ccc(CNC2COCC2n2nc3c(cc2=O)CCC3)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is KWUGMDVGLQHCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-15-7-5-13(6-8-15)10-20-17-11-25-12-18(17)22-19(23)9-14-3-2-4-16(14)21-22/h5-9,17-18,20H,2-4,10-12H2,1H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126939365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).