8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline

C19H19FN4 — CID 74249674

IUPAC8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline
SMILESCCc1cc(-c2ccc(F)c3cccnc23)nc(N2CCCC2)n1
InChIInChI=1S/C19H19FN4/c1-2-13-12-17(23-19(22-13)24-10-3-4-11-24)15-7-8-16(20)14-6-5-9-21-18(14)15/h5-9,12H,2-4,10-11H2,1H3
InChIKeyLQNGFHHGWOLDLY-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.99
Rot. Bonds3

About 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline

8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline (PubChem CID 74249674) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline.

Molecular Properties

Compound Name8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline
PubChem CID74249674
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline
SMILESCCc1cc(-c2ccc(F)c3cccnc23)nc(N2CCCC2)n1
InChIInChI=1S/C19H19FN4/c1-2-13-12-17(23-19(22-13)24-10-3-4-11-24)15-7-8-16(20)14-6-5-9-21-18(14)15/h5-9,12H,2-4,10-11H2,1H3
InChIKeyLQNGFHHGWOLDLY-UHFFFAOYSA-N
XLogP3.99
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 121497811
8-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-fluoroquinoline
CID 86895318
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
CID 77084424
4-ethyl-6-(2-methoxyethyl)-2-piperidin-1-ylpyrimidine
CID 72847818
4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 134705870
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
5-(5,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine;hydrochloride
CID 166059169
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine
CID 71216213
10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline
CID 101228052
2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
CID 74239897

Frequently Asked Questions

What is the IUPAC name of 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline?
The IUPAC name of 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline (CID 74249674) is 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline.
What is the SMILES notation for 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline?
The canonical SMILES for 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline is CCc1cc(-c2ccc(F)c3cccnc23)nc(N2CCCC2)n1.
What is the InChIKey of 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline?
The InChIKey is LQNGFHHGWOLDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-2-13-12-17(23-19(22-13)24-10-3-4-11-24)15-7-8-16(20)14-6-5-9-21-18(14)15/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline?
8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline has a molecular weight of 322.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline is sourced from PubChem (CID 74249674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).