4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one

C20H20N4O2 — CID 71864171

IUPAC4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one
SMILESCC(C)C1CN(C(=O)c2n[nH]c(=O)c3ccccc23)c2ccccc2N1
InChIInChI=1S/C20H20N4O2/c1-12(2)16-11-24(17-10-6-5-9-15(17)21-16)20(26)18-13-7-3-4-8-14(13)19(25)23-22-18/h3-10,12,16,21H,11H2,1-2H3,(H,23,25)
InChIKeyJNCKTWNIDZBDPL-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds2

About 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one

4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one (PubChem CID 71864171) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one
PubChem CID71864171
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one
SMILESCC(C)C1CN(C(=O)c2n[nH]c(=O)c3ccccc23)c2ccccc2N1
InChIInChI=1S/C20H20N4O2/c1-12(2)16-11-24(17-10-6-5-9-15(17)21-16)20(26)18-13-7-3-4-8-14(13)19(25)23-22-18/h3-10,12,16,21H,11H2,1-2H3,(H,23,25)
InChIKeyJNCKTWNIDZBDPL-UHFFFAOYSA-N
XLogP3.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95971949
(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 102554920
(2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
CID 99775265
3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 95971911
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
CID 97013388
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one
CID 86790478
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
4-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 16671202
4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one
CID 43420923
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 9070716

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one (CID 71864171) is 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one is CC(C)C1CN(C(=O)c2n[nH]c(=O)c3ccccc23)c2ccccc2N1.
What is the InChIKey of 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one?
The InChIKey is JNCKTWNIDZBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)16-11-24(17-10-6-5-9-15(17)21-16)20(26)18-13-7-3-4-8-14(13)19(25)23-22-18/h3-10,12,16,21H,11H2,1-2H3,(H,23,25).
What are the key properties of 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one?
4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one has a molecular weight of 348.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 71864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).