4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one

C15H16N4O2 — CID 64694989

IUPAC4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3ccccc3c(N)n2)CC1=O
InChIInChI=1S/C15H16N4O2/c1-18-6-7-19(9-13(18)20)15(21)12-8-10-4-2-3-5-11(10)14(16)17-12/h2-5,8H,6-7,9H2,1H3,(H2,16,17)
InChIKeyQBAYXZDYIGXNIA-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.73
Rot. Bonds1

About 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one

4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one (PubChem CID 64694989) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one
PubChem CID64694989
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3ccccc3c(N)n2)CC1=O
InChIInChI=1S/C15H16N4O2/c1-18-6-7-19(9-13(18)20)15(21)12-8-10-4-2-3-5-11(10)14(16)17-12/h2-5,8H,6-7,9H2,1H3,(H2,16,17)
InChIKeyQBAYXZDYIGXNIA-UHFFFAOYSA-N
XLogP0.73
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one (CID 64694989) is 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2cc3ccccc3c(N)n2)CC1=O.
What is the InChIKey of 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is QBAYXZDYIGXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18-6-7-19(9-13(18)20)15(21)12-8-10-4-2-3-5-11(10)14(16)17-12/h2-5,8H,6-7,9H2,1H3,(H2,16,17).
What are the key properties of 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one?
4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 284.32 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64694989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).