(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C24H23N5O — CID 16623005

IUPAC(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N5O/c30-24(20-7-9-22(10-8-20)29-13-3-12-26-29)28-16-14-27(15-17-28)18-21-5-1-4-19-6-2-11-25-23(19)21/h1-13H,14-18H2
InChIKeyQURNFUVMNNZXTI-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.38
Rot. Bonds4

About (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 16623005) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID16623005
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N5O/c30-24(20-7-9-22(10-8-20)29-13-3-12-26-29)28-16-14-27(15-17-28)18-21-5-1-4-19-6-2-11-25-23(19)21/h1-13H,14-18H2
InChIKeyQURNFUVMNNZXTI-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
7-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 166207806
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755
2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 16622937
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 134063596

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 16623005) is (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QURNFUVMNNZXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(20-7-9-22(10-8-20)29-13-3-12-26-29)28-16-14-27(15-17-28)18-21-5-1-4-19-6-2-11-25-23(19)21/h1-13H,14-18H2.
What are the key properties of (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16623005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).