8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline

C24H22FN5O — CID 24733614

IUPAC8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
SMILESCOc1ccnc(N2CCN(c3ccc4cccc(-c5ccccc5F)c4n3)CC2)n1
InChIInChI=1S/C24H22FN5O/c1-31-22-11-12-26-24(28-22)30-15-13-29(14-16-30)21-10-9-17-5-4-7-19(23(17)27-21)18-6-2-3-8-20(18)25/h2-12H,13-16H2,1H3
InChIKeyKIWVKLNKAMBVGM-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.17
Rot. Bonds4

About 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline

8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline (PubChem CID 24733614) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
PubChem CID24733614
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
SMILESCOc1ccnc(N2CCN(c3ccc4cccc(-c5ccccc5F)c4n3)CC2)n1
InChIInChI=1S/C24H22FN5O/c1-31-22-11-12-26-24(28-22)30-15-13-29(14-16-30)21-10-9-17-5-4-7-19(23(17)27-21)18-6-2-3-8-20(18)25/h2-12H,13-16H2,1H3
InChIKeyKIWVKLNKAMBVGM-UHFFFAOYSA-N
XLogP4.17
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline
CID 24733626
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154575576
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350559
ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
CID 24733632
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
The IUPAC name of 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline (CID 24733614) is 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline is COc1ccnc(N2CCN(c3ccc4cccc(-c5ccccc5F)c4n3)CC2)n1.
What is the InChIKey of 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
The InChIKey is KIWVKLNKAMBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-31-22-11-12-26-24(28-22)30-15-13-29(14-16-30)21-10-9-17-5-4-7-19(23(17)27-21)18-6-2-3-8-20(18)25/h2-12H,13-16H2,1H3.
What are the key properties of 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline has a molecular weight of 415.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 24733614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).