methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate

C15H18N4O2 — CID 6418780

IUPACmethyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
SMILESCOC(=O)c1nnc(N2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)14-12-6-4-3-5-11(12)13(16-17-14)15(20)21-2/h3-6H,7-10H2,1-2H3
InChIKeyFSKGGERMMDJDSK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds2

About methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate

methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate (PubChem CID 6418780) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
PubChem CID6418780
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Namemethyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
SMILESCOC(=O)c1nnc(N2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)14-12-6-4-3-5-11(12)13(16-17-14)15(20)21-2/h3-6H,7-10H2,1-2H3
InChIKeyFSKGGERMMDJDSK-UHFFFAOYSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate?
The IUPAC name of methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate (CID 6418780) is methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate is COC(=O)c1nnc(N2CCN(C)CC2)c2ccccc12.
What is the InChIKey of methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate?
The InChIKey is FSKGGERMMDJDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)14-12-6-4-3-5-11(12)13(16-17-14)15(20)21-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate?
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate has a molecular weight of 286.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate is sourced from PubChem (CID 6418780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).