4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline

C18H17ClFN5O — CID 133299214

IUPAC4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
SMILESCOc1ccnc(N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)n1
InChIInChI=1S/C18H17ClFN5O/c1-26-15-5-7-22-18(23-15)25-10-8-24(9-11-25)14-3-2-12-13(19)4-6-21-17(12)16(14)20/h2-7H,8-11H2,1H3
InChIKeyNRPWXFJQYIYVEG-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline

4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline (PubChem CID 133299214) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
PubChem CID133299214
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
SMILESCOc1ccnc(N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)n1
InChIInChI=1S/C18H17ClFN5O/c1-26-15-5-7-22-18(23-15)25-10-8-24(9-11-25)14-3-2-12-13(19)4-6-21-17(12)16(14)20/h2-7H,8-11H2,1H3
InChIKeyNRPWXFJQYIYVEG-UHFFFAOYSA-N
XLogP3.15
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 71977837
4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline
CID 133304273
5-chloro-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 133285999
5-[4-(4-chloro-8-fluoroquinolin-7-yl)-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133334716
1-[4-(4-chloro-8-fluoroquinolin-7-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133355092
1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
CID 133297883
2-(4-chloro-8-fluoroquinolin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 133305703
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815321
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
10-(4-chloro-8-fluoroquinolin-7-yl)-7-oxa-3λ6-thia-10-azaspiro[5.6]dodecane 3,3-dioxide
CID 166278989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
The IUPAC name of 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline (CID 133299214) is 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline is COc1ccnc(N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)n1.
What is the InChIKey of 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
The InChIKey is NRPWXFJQYIYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-26-15-5-7-22-18(23-15)25-10-8-24(9-11-25)14-3-2-12-13(19)4-6-21-17(12)16(14)20/h2-7H,8-11H2,1H3.
What are the key properties of 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline?
4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline has a molecular weight of 373.82 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133299214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).