1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone

C20H20FN5O2 — CID 58368568

IUPAC1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone
SMILESCC(=O)c1cc(F)c2cccnc2c1N1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C20H20FN5O2/c1-13(27)16-10-17(21)15-4-3-5-22-18(15)19(16)25-6-8-26(9-7-25)20(28)14-11-23-24(2)12-14/h3-5,10-12H,6-9H2,1-2H3
InChIKeySRWHFMGWZITFPG-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.27
Rot. Bonds3

About 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone

1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone (PubChem CID 58368568) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone
PubChem CID58368568
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone
SMILESCC(=O)c1cc(F)c2cccnc2c1N1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C20H20FN5O2/c1-13(27)16-10-17(21)15-4-3-5-22-18(15)19(16)25-6-8-26(9-7-25)20(28)14-11-23-24(2)12-14/h3-5,10-12H,6-9H2,1-2H3
InChIKeySRWHFMGWZITFPG-UHFFFAOYSA-N
XLogP2.27
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172898649
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 67247043
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 95811515
2-[5-chloro-8-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-7-yl]acetaldehyde
CID 87323983
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
CID 67247122

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone?
The IUPAC name of 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone (CID 58368568) is 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone is CC(=O)c1cc(F)c2cccnc2c1N1CCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone?
The InChIKey is SRWHFMGWZITFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-13(27)16-10-17(21)15-4-3-5-22-18(15)19(16)25-6-8-26(9-7-25)20(28)14-11-23-24(2)12-14/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone?
1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone has a molecular weight of 381.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone is sourced from PubChem (CID 58368568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).