3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one

C16H17N3O2 — CID 63607746

IUPAC3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccc2ncccc12
InChIInChI=1S/C16H17N3O2/c1-16(2)15(21)18-9-10-19(16)14(20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyKGGKMQFDEMFWES-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.59
Rot. Bonds1

About 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one

3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one (PubChem CID 63607746) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
PubChem CID63607746
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccc2ncccc12
InChIInChI=1S/C16H17N3O2/c1-16(2)15(21)18-9-10-19(16)14(20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyKGGKMQFDEMFWES-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one (CID 63607746) is 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cccc2ncccc12.
What is the InChIKey of 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one?
The InChIKey is KGGKMQFDEMFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2)15(21)18-9-10-19(16)14(20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 63607746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).