1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one

C20H21N5O2 — CID 46998920

IUPAC1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one
SMILESCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCN(C)C(=O)C3C)c2c1
InChIInChI=1S/C20H21N5O2/c1-12-4-5-17-15(8-12)16(9-18(23-17)14-10-21-22-11-14)20(27)25-7-6-24(3)19(26)13(25)2/h4-5,8-11,13H,6-7H2,1-3H3,(H,21,22)
InChIKeyIHRSTFSYNCEUFW-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.24
Rot. Bonds2

About 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one

1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one (PubChem CID 46998920) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one
PubChem CID46998920
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one
SMILESCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCN(C)C(=O)C3C)c2c1
InChIInChI=1S/C20H21N5O2/c1-12-4-5-17-15(8-12)16(9-18(23-17)14-10-21-22-11-14)20(27)25-7-6-24(3)19(26)13(25)2/h4-5,8-11,13H,6-7H2,1-3H3,(H,21,22)
InChIKeyIHRSTFSYNCEUFW-UHFFFAOYSA-N
XLogP2.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one (CID 46998920) is 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one is Cc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCN(C)C(=O)C3C)c2c1.
What is the InChIKey of 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one?
The InChIKey is IHRSTFSYNCEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-4-5-17-15(8-12)16(9-18(23-17)14-10-21-22-11-14)20(27)25-7-6-24(3)19(26)13(25)2/h4-5,8-11,13H,6-7H2,1-3H3,(H,21,22).
What are the key properties of 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one?
1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 46998920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).