7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline

C15H21FN2 — CID 120902138

IUPAC7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCC1(CN2CCCc3ccc(F)cc32)CCNC1
InChIInChI=1S/C15H21FN2/c1-15(6-7-17-10-15)11-18-8-2-3-12-4-5-13(16)9-14(12)18/h4-5,9,17H,2-3,6-8,10-11H2,1H3
InChIKeyAXUCUPCUVUXTHY-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.58
Rot. Bonds2

About 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline

7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 120902138) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID120902138
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCC1(CN2CCCc3ccc(F)cc32)CCNC1
InChIInChI=1S/C15H21FN2/c1-15(6-7-17-10-15)11-18-8-2-3-12-4-5-13(16)9-14(12)18/h4-5,9,17H,2-3,6-8,10-11H2,1H3
InChIKeyAXUCUPCUVUXTHY-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline (CID 120902138) is 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline is CC1(CN2CCCc3ccc(F)cc32)CCNC1.
What is the InChIKey of 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is AXUCUPCUVUXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-15(6-7-17-10-15)11-18-8-2-3-12-4-5-13(16)9-14(12)18/h4-5,9,17H,2-3,6-8,10-11H2,1H3.
What are the key properties of 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 248.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 120902138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).