5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline

C18H17FN4 — CID 155492812

IUPAC5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline
SMILESFc1cccc2ncc(-c3cccc(N4CCNCC4)n3)cc12
InChIInChI=1S/C18H17FN4/c19-15-3-1-5-17-14(15)11-13(12-21-17)16-4-2-6-18(22-16)23-9-7-20-8-10-23/h1-6,11-12,20H,7-10H2
InChIKeyDUKVQKWPDOGGQL-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.85
Rot. Bonds2

About 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline

5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline (PubChem CID 155492812) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline.

Molecular Properties

Compound Name5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline
PubChem CID155492812
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline
SMILESFc1cccc2ncc(-c3cccc(N4CCNCC4)n3)cc12
InChIInChI=1S/C18H17FN4/c19-15-3-1-5-17-14(15)11-13(12-21-17)16-4-2-6-18(22-16)23-9-7-20-8-10-23/h1-6,11-12,20H,7-10H2
InChIKeyDUKVQKWPDOGGQL-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine
CID 39818397
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253573
1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
CID 53250560
3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692346
3-fluoro-5-piperazin-1-ylquinoline
CID 21073301
1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine
CID 67606505
N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
CID 175494124
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 155911122
(E)-3-[3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24812230
6-[(2S)-2-(3-fluorophenyl)cyclopentyl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 162486101
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
1-[6-(3-propan-2-yl-4-propan-2-yloxyphenyl)-2-pyridinyl]piperazine
CID 67607057

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline?
The IUPAC name of 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline (CID 155492812) is 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline.
What is the SMILES notation for 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline?
The canonical SMILES for 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline is Fc1cccc2ncc(-c3cccc(N4CCNCC4)n3)cc12.
What is the InChIKey of 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline?
The InChIKey is DUKVQKWPDOGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-15-3-1-5-17-14(15)11-13(12-21-17)16-4-2-6-18(22-16)23-9-7-20-8-10-23/h1-6,11-12,20H,7-10H2.
What are the key properties of 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline?
5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline has a molecular weight of 308.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline is sourced from PubChem (CID 155492812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).