N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide

C18H22N4O2 — CID 94026332

IUPACN-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc2c1=O
InChIInChI=1S/C18H22N4O2/c1-21-18(24)13-7-3-2-6-12(13)16(20-21)17(23)19-14-9-11-22-10-5-4-8-15(14)22/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,19,23)/t14-,15-/m1/s1
InChIKeyLSFKSHRNPVZLHK-HUUCEWRRSA-N
MW326.40 g/mol
LogP1.29
Rot. Bonds2

About N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 94026332) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID94026332
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc2c1=O
InChIInChI=1S/C18H22N4O2/c1-21-18(24)13-7-3-2-6-12(13)16(20-21)17(23)19-14-9-11-22-10-5-4-8-15(14)22/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,19,23)/t14-,15-/m1/s1
InChIKeyLSFKSHRNPVZLHK-HUUCEWRRSA-N
XLogP1.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 94867266
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362894
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
CID 99755073
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 100839185

Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 94026332) is N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc2c1=O.
What is the InChIKey of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is LSFKSHRNPVZLHK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-18(24)13-7-3-2-6-12(13)16(20-21)17(23)19-14-9-11-22-10-5-4-8-15(14)22/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,19,23)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 94026332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).