8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline

C19H21FN4 — CID 133368525

IUPAC8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
SMILESCc1cc(N2CCC(Cc3cnn(C)c3)C2)c2cccc(F)c2n1
InChIInChI=1S/C19H21FN4/c1-13-8-18(16-4-3-5-17(20)19(16)22-13)24-7-6-14(12-24)9-15-10-21-23(2)11-15/h3-5,8,10-11,14H,6-7,9,12H2,1-2H3
InChIKeyGVHGALMHKVJSMF-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.48
Rot. Bonds3

About 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline

8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline (PubChem CID 133368525) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
PubChem CID133368525
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
SMILESCc1cc(N2CCC(Cc3cnn(C)c3)C2)c2cccc(F)c2n1
InChIInChI=1S/C19H21FN4/c1-13-8-18(16-4-3-5-17(20)19(16)22-13)24-7-6-14(12-24)9-15-10-21-23(2)11-15/h3-5,8,10-11,14H,6-7,9,12H2,1-2H3
InChIKeyGVHGALMHKVJSMF-UHFFFAOYSA-N
XLogP3.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
The IUPAC name of 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline (CID 133368525) is 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
The canonical SMILES for 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline is Cc1cc(N2CCC(Cc3cnn(C)c3)C2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
The InChIKey is GVHGALMHKVJSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-13-8-18(16-4-3-5-17(20)19(16)22-13)24-7-6-14(12-24)9-15-10-21-23(2)11-15/h3-5,8,10-11,14H,6-7,9,12H2,1-2H3.
What are the key properties of 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline has a molecular weight of 324.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 133368525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).