4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one

C15H17N3O2 — CID 82704916

IUPAC4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESC[C@@H]1CNCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-10-9-16-6-7-18(10)15(20)12-8-14(19)17-13-5-3-2-4-11(12)13/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyPOHVJZPCZYQAOV-SNVBAGLBSA-N
MW271.32 g/mol
LogP0.96
Rot. Bonds1

About 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one

4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 82704916) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID82704916
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESC[C@@H]1CNCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-10-9-16-6-7-18(10)15(20)12-8-14(19)17-13-5-3-2-4-11(12)13/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyPOHVJZPCZYQAOV-SNVBAGLBSA-N
XLogP0.96
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one (CID 82704916) is 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one is C[C@@H]1CNCCN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is POHVJZPCZYQAOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-9-16-6-7-18(10)15(20)12-8-14(19)17-13-5-3-2-4-11(12)13/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one?
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 82704916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).