2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid

C16H17FN2O2 — CID 61371323

IUPAC2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C16H17FN2O2/c17-13-7-11-3-1-5-18-16(11)12(8-13)10-19-6-2-4-14(19)9-15(20)21/h1,3,5,7-8,14H,2,4,6,9-10H2,(H,20,21)
InChIKeyTXUIJJXCBCXCAI-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.81
Rot. Bonds4

About 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371323) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371323
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C16H17FN2O2/c17-13-7-11-3-1-5-18-16(11)12(8-13)10-19-6-2-4-14(19)9-15(20)21/h1,3,5,7-8,14H,2,4,6,9-10H2,(H,20,21)
InChIKeyTXUIJJXCBCXCAI-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone
CID 86780789
1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784462
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 66413596
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351327
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 104505267
2-[1-[(2-cyano-4-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 63289181
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 61371323) is 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1cc(F)cc2cccnc12.
What is the InChIKey of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is TXUIJJXCBCXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-11-3-1-5-18-16(11)12(8-13)10-19-6-2-4-14(19)9-15(20)21/h1,3,5,7-8,14H,2,4,6,9-10H2,(H,20,21).
What are the key properties of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).