ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate

C19H23FN2O3 — CID 133388780

IUPACethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1N1CCC(C(C)O)CC1
InChIInChI=1S/C19H23FN2O3/c1-3-25-19(24)16-11-21-17-5-4-14(20)10-15(17)18(16)22-8-6-13(7-9-22)12(2)23/h4-5,10-13,23H,3,6-9H2,1-2H3
InChIKeyLJVKDCPXKGSOPV-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.15
Rot. Bonds4

About ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate

ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate (PubChem CID 133388780) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
PubChem CID133388780
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nameethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1N1CCC(C(C)O)CC1
InChIInChI=1S/C19H23FN2O3/c1-3-25-19(24)16-11-21-17-5-4-14(20)10-15(17)18(16)22-8-6-13(7-9-22)12(2)23/h4-5,10-13,23H,3,6-9H2,1-2H3
InChIKeyLJVKDCPXKGSOPV-UHFFFAOYSA-N
XLogP3.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate
CID 133369054
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475
ethyl 6-fluoro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinoline-3-carboxylate
CID 4095404
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
ethyl 6-fluoro-4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-8-methylquinoline-3-carboxylate
CID 133486042
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133384480
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109
ethyl 4-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]quinoline-3-carboxylate
CID 133277748

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate (CID 133388780) is ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(F)cc2c1N1CCC(C(C)O)CC1.
What is the InChIKey of ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate?
The InChIKey is LJVKDCPXKGSOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-3-25-19(24)16-11-21-17-5-4-14(20)10-15(17)18(16)22-8-6-13(7-9-22)12(2)23/h4-5,10-13,23H,3,6-9H2,1-2H3.
What are the key properties of ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate?
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate has a molecular weight of 346.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 133388780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).