4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one

C15H16N4O2 — CID 63600921

IUPAC4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-9-14(20)17-6-7-19(9)15(21)11-8-13(16)18-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)(H,17,20)
InChIKeyDZNPPOFFFOWJNN-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.78
Rot. Bonds1

About 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one

4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63600921) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
PubChem CID63600921
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-9-14(20)17-6-7-19(9)15(21)11-8-13(16)18-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)(H,17,20)
InChIKeyDZNPPOFFFOWJNN-UHFFFAOYSA-N
XLogP0.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one (CID 63600921) is 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is DZNPPOFFFOWJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-14(20)17-6-7-19(9)15(21)11-8-13(16)18-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 284.32 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63600921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).