4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one

C15H15N3O3 — CID 63606060

IUPAC4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H15N3O3/c1-9-14(20)16-6-7-18(9)15(21)11-8-13(19)17-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,19)
InChIKeyCUESJFMERTZVQL-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.49
Rot. Bonds1

About 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one

4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one (PubChem CID 63606060) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
PubChem CID63606060
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H15N3O3/c1-9-14(20)16-6-7-18(9)15(21)11-8-13(19)17-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,19)
InChIKeyCUESJFMERTZVQL-UHFFFAOYSA-N
XLogP0.49
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one (CID 63606060) is 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one is CC1C(=O)NCCN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is CUESJFMERTZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-14(20)16-6-7-18(9)15(21)11-8-13(19)17-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one?
4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 285.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 63606060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).