3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid

C18H19FN2O3 — CID 120536757

IUPAC3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1cc(F)cc2cccnc12
InChIInChI=1S/C18H19FN2O3/c19-13-10-12-4-3-8-20-17(12)15(11-13)18(24)21-9-2-1-5-14(21)6-7-16(22)23/h3-4,8,10-11,14H,1-2,5-7,9H2,(H,22,23)
InChIKeyPCPRYEVZGSYFRV-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.23
Rot. Bonds4

About 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 120536757) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID120536757
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1cc(F)cc2cccnc12
InChIInChI=1S/C18H19FN2O3/c19-13-10-12-4-3-8-20-17(12)15(11-13)18(24)21-9-2-1-5-14(21)6-7-16(22)23/h3-4,8,10-11,14H,1-2,5-7,9H2,(H,22,23)
InChIKeyPCPRYEVZGSYFRV-UHFFFAOYSA-N
XLogP3.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582
3-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]propanoic acid
CID 125118170
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124697534
[2-(chloromethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639082
[2-(bromomethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639426
3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 115924049
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid (CID 120536757) is 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1cc(F)cc2cccnc12.
What is the InChIKey of 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is PCPRYEVZGSYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-10-12-4-3-8-20-17(12)15(11-13)18(24)21-9-2-1-5-14(21)6-7-16(22)23/h3-4,8,10-11,14H,1-2,5-7,9H2,(H,22,23).
What are the key properties of 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 330.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 120536757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).