4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one

C22H17N3O3 — CID 124609450

IUPAC4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C22H17N3O3/c26-21-17-9-5-4-8-16(17)20(23-24-21)22(27)25-11-10-15-12-18(28-19(15)13-25)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,24,26)
InChIKeyHUOJVHCHKXOXKF-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.38
Rot. Bonds2

About 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one

4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one (PubChem CID 124609450) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one
PubChem CID124609450
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C22H17N3O3/c26-21-17-9-5-4-8-16(17)20(23-24-21)22(27)25-11-10-15-12-18(28-19(15)13-25)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,24,26)
InChIKeyHUOJVHCHKXOXKF-UHFFFAOYSA-N
XLogP3.38
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one with MolForge

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Related Compounds

4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 91643821
4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
CID 71943929
2-chloro-1-(2-phenyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)ethanone
CID 166408897
4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
CID 167785269
2-amino-2-(oxan-4-yl)-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 120796270
3-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982121
4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)butan-1-ol
CID 111630024
4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 17435748
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2118213
4-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 16674823

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one (CID 124609450) is 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCc2cc(-c3ccccc3)oc2C1.
What is the InChIKey of 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one?
The InChIKey is HUOJVHCHKXOXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21-17-9-5-4-8-16(17)20(23-24-21)22(27)25-11-10-15-12-18(28-19(15)13-25)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,24,26).
What are the key properties of 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one?
4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one has a molecular weight of 371.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 124609450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).