4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C17H21N5O2 — CID 164630143

IUPAC4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2c1CCCC2)N1CCN[C@H](c2cn[nH]c2)C1
InChIInChI=1S/C17H21N5O2/c23-16-7-13(12-3-1-2-4-14(12)21-16)17(24)22-6-5-18-15(10-22)11-8-19-20-9-11/h7-9,15,18H,1-6,10H2,(H,19,20)(H,21,23)/t15-/m0/s1
InChIKeyKFFUKWHQSNLNRZ-HNNXBMFYSA-N
MW327.39 g/mol
LogP0.76
Rot. Bonds2

About 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 164630143) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID164630143
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2c1CCCC2)N1CCN[C@H](c2cn[nH]c2)C1
InChIInChI=1S/C17H21N5O2/c23-16-7-13(12-3-1-2-4-14(12)21-16)17(24)22-6-5-18-15(10-22)11-8-19-20-9-11/h7-9,15,18H,1-6,10H2,(H,19,20)(H,21,23)/t15-/m0/s1
InChIKeyKFFUKWHQSNLNRZ-HNNXBMFYSA-N
XLogP0.76
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 164630143) is 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2c1CCCC2)N1CCN[C@H](c2cn[nH]c2)C1.
What is the InChIKey of 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is KFFUKWHQSNLNRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-7-13(12-3-1-2-4-14(12)21-16)17(24)22-6-5-18-15(10-22)11-8-19-20-9-11/h7-9,15,18H,1-6,10H2,(H,19,20)(H,21,23)/t15-/m0/s1.
What are the key properties of 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 327.39 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 164630143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).