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

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Related Compounds

Floctafenine
CID 3360
Pf-05105679
CID 60195662
Quinoline-3-carboxylic acid
CID 80971
Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
Ethyl 4-Chloroquinoline-3-carboxylate
CID 268963
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
Ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
CID 705510
Ethyl 6-methyl-4-{[4-(4-morpholinyl)phenyl]amino}-3-quinolinecarboxylate
CID 1190554
1-(8-Hydroxymethyl-4-o-tolylamino-quinolin-3-yl)-2-methyl-propan-1-one
CID 10246289
3-Butyryl-4-(2-methylphenylamino)-8-hydroxymethylquinoline
CID 10427010

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).