6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

C14H19FN2 — CID 105494864

IUPAC6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2c(c1)C(CN1CCCC1)CCN2
InChIInChI=1S/C14H19FN2/c15-12-3-4-14-13(9-12)11(5-6-16-14)10-17-7-1-2-8-17/h3-4,9,11,16H,1-2,5-8,10H2
InChIKeyAUNCDQYDIMKEKS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.82
Rot. Bonds2

About 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105494864) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105494864
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2c(c1)C(CN1CCCC1)CCN2
InChIInChI=1S/C14H19FN2/c15-12-3-4-14-13(9-12)11(5-6-16-14)10-17-7-1-2-8-17/h3-4,9,11,16H,1-2,5-8,10H2
InChIKeyAUNCDQYDIMKEKS-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 105494864) is 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is Fc1ccc2c(c1)C(CN1CCCC1)CCN2.
What is the InChIKey of 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is AUNCDQYDIMKEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-3-4-14-13(9-12)11(5-6-16-14)10-17-7-1-2-8-17/h3-4,9,11,16H,1-2,5-8,10H2.
What are the key properties of 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 234.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105494864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).