4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one

C21H23N5O2 — CID 46977179

IUPAC4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12
InChIInChI=1S/C21H23N5O2/c1-4-19-20(27)22-9-10-26(19)21(28)15-11-18(16-12-23-25(3)13(16)2)24-17-8-6-5-7-14(15)17/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,22,27)
InChIKeyUAOIMDPKERMRKC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.29
Rot. Bonds3

About 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one

4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one (PubChem CID 46977179) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one
PubChem CID46977179
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12
InChIInChI=1S/C21H23N5O2/c1-4-19-20(27)22-9-10-26(19)21(28)15-11-18(16-12-23-25(3)13(16)2)24-17-8-6-5-7-14(15)17/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,22,27)
InChIKeyUAOIMDPKERMRKC-UHFFFAOYSA-N
XLogP2.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one (CID 46977179) is 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12.
What is the InChIKey of 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one?
The InChIKey is UAOIMDPKERMRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-19-20(27)22-9-10-26(19)21(28)15-11-18(16-12-23-25(3)13(16)2)24-17-8-6-5-7-14(15)17/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,22,27).
What are the key properties of 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one?
4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 46977179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).