[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

C21H25N5O — CID 46985716

IUPAC[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCN(C)CC3)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C21H25N5O/c1-14-5-6-17-18(21(27)26-9-7-24(3)8-10-26)11-19(23-20(17)15(14)2)16-12-22-25(4)13-16/h5-6,11-13H,7-10H2,1-4H3
InChIKeyFYBXNPWDJOMCFK-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.64
Rot. Bonds2

About [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 46985716) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID46985716
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCN(C)CC3)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C21H25N5O/c1-14-5-6-17-18(21(27)26-9-7-24(3)8-10-26)11-19(23-20(17)15(14)2)16-12-22-25(4)13-16/h5-6,11-13H,7-10H2,1-4H3
InChIKeyFYBXNPWDJOMCFK-UHFFFAOYSA-N
XLogP2.64
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 95046294
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
CID 95047470
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95047395
N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 166392385
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 46995479
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46990469
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
[7,8-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46992667

Frequently Asked Questions

What is the IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 46985716) is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc2c(C(=O)N3CCN(C)CC3)cc(-c3cnn(C)c3)nc2c1C.
What is the InChIKey of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FYBXNPWDJOMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-5-6-17-18(21(27)26-9-7-24(3)8-10-26)11-19(23-20(17)15(14)2)16-12-22-25(4)13-16/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 363.47 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 46985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).