6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline

C19H20FN5 — CID 133458892

IUPAC6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(c3ccnc(C)n3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C19H20FN5/c1-13-11-18(16-12-15(20)3-4-17(16)22-13)24-7-9-25(10-8-24)19-5-6-21-14(2)23-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYDKBLIWQFRMJIO-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.11
Rot. Bonds2

About 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline

6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline (PubChem CID 133458892) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
PubChem CID133458892
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(c3ccnc(C)n3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C19H20FN5/c1-13-11-18(16-12-15(20)3-4-17(16)22-13)24-7-9-25(10-8-24)19-5-6-21-14(2)23-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYDKBLIWQFRMJIO-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 136517944
5-[4-(6-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368174
5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 133458843
6-fluoro-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]quinoline
CID 133368681
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
3-ethyl-5-[4-(6-fluoro-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133368413
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 171335729
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
4-(6-fluoro-2-methylquinolin-4-yl)-2-(furan-2-yl)morpholine
CID 133368875
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline (CID 133458892) is 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline is Cc1cc(N2CCN(c3ccnc(C)n3)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline?
The InChIKey is YDKBLIWQFRMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-13-11-18(16-12-15(20)3-4-17(16)22-13)24-7-9-25(10-8-24)19-5-6-21-14(2)23-19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline?
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline has a molecular weight of 337.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133458892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).