4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline

C19H19ClFN5 — CID 133304273

IUPAC4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline
SMILESCc1cc(N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)nc(C)n1
InChIInChI=1S/C19H19ClFN5/c1-12-11-17(24-13(2)23-12)26-9-7-25(8-10-26)16-4-3-14-15(20)5-6-22-19(14)18(16)21/h3-6,11H,7-10H2,1-2H3
InChIKeyNBXMQAVJBHVGME-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.76
Rot. Bonds2

About 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline

4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline (PubChem CID 133304273) has the molecular formula C19H19ClFN5 and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline.

Molecular Properties

Compound Name4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline
PubChem CID133304273
Molecular FormulaC19H19ClFN5
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline
SMILESCc1cc(N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)nc(C)n1
InChIInChI=1S/C19H19ClFN5/c1-12-11-17(24-13(2)23-12)26-9-7-25(8-10-26)16-4-3-14-15(20)5-6-22-19(14)18(16)21/h3-6,11H,7-10H2,1-2H3
InChIKeyNBXMQAVJBHVGME-UHFFFAOYSA-N
XLogP3.76
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
CID 133299214
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
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 136517944
2-(4-chloro-8-fluoroquinolin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 133305703
1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
CID 133297883
8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline
CID 86868224
4-[4-(7-chloro-8-methoxyquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 177306305
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 127051589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline?
The IUPAC name of 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline (CID 133304273) is 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline.
What is the SMILES notation for 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline?
The canonical SMILES for 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline is Cc1cc(N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)nc(C)n1.
What is the InChIKey of 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline?
The InChIKey is NBXMQAVJBHVGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5/c1-12-11-17(24-13(2)23-12)26-9-7-25(8-10-26)16-4-3-14-15(20)5-6-22-19(14)18(16)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline?
4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline has a molecular weight of 371.85 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-8-fluoroquinoline is sourced from PubChem (CID 133304273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).