(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

C20H23N5O — CID 126767718

IUPAC(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCNCC3c3cnn(C)c3)c(C)nc2c1
InChIInChI=1S/C20H23N5O/c1-13-4-5-15-9-17(14(2)23-18(15)8-13)20(26)25-7-6-21-11-19(25)16-10-22-24(3)12-16/h4-5,8-10,12,19,21H,6-7,11H2,1-3H3
InChIKeyJVJVRYNDCVLCEE-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.37
Rot. Bonds2

About (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 126767718) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID126767718
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCNCC3c3cnn(C)c3)c(C)nc2c1
InChIInChI=1S/C20H23N5O/c1-13-4-5-15-9-17(14(2)23-18(15)8-13)20(26)25-7-6-21-11-19(25)16-10-22-24(3)12-16/h4-5,8-10,12,19,21H,6-7,11H2,1-3H3
InChIKeyJVJVRYNDCVLCEE-UHFFFAOYSA-N
XLogP2.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154762702
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730877
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 120802342

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (CID 126767718) is (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is Cc1ccc2cc(C(=O)N3CCNCC3c3cnn(C)c3)c(C)nc2c1.
What is the InChIKey of (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is JVJVRYNDCVLCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-4-5-15-9-17(14(2)23-18(15)8-13)20(26)25-7-6-21-11-19(25)16-10-22-24(3)12-16/h4-5,8-10,12,19,21H,6-7,11H2,1-3H3.
What are the key properties of (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126767718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).