4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid

C19H23FN2O4 — CID 69362150

IUPAC4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc2ncc(F)c([C@H](O)CCC3CCNCC3C(=O)O)c2c1
InChIInChI=1S/C19H23FN2O4/c1-26-12-3-4-16-13(8-12)18(15(20)10-22-16)17(23)5-2-11-6-7-21-9-14(11)19(24)25/h3-4,8,10-11,14,17,21,23H,2,5-7,9H2,1H3,(H,24,25)/t11?,14?,17-/m1/s1
InChIKeyXPCANGWVLKKUHV-KDTYNDQISA-N
MW362.40 g/mol
LogP2.51
Rot. Bonds6

About 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid

4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid (PubChem CID 69362150) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
PubChem CID69362150
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc2ncc(F)c([C@H](O)CCC3CCNCC3C(=O)O)c2c1
InChIInChI=1S/C19H23FN2O4/c1-26-12-3-4-16-13(8-12)18(15(20)10-22-16)17(23)5-2-11-6-7-21-9-14(11)19(24)25/h3-4,8,10-11,14,17,21,23H,2,5-7,9H2,1H3,(H,24,25)/t11?,14?,17-/m1/s1
InChIKeyXPCANGWVLKKUHV-KDTYNDQISA-N
XLogP2.51
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-prop-2-ynylpiperidine-3-carboxylate
CID 139996950
4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid
CID 22643893
(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 70178018
tert-butyl (3R,4R)-3-[(1R)-1,2-dihydroxyethyl]-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 71052996
3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropanal
CID 145147650
(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068229
(3R,4R)-4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(3-phenylcyclobutyl)piperidine-3-carboxylic acid
CID 25114626
2-[4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]acetic acid
CID 69361392
methyl (2R)-4-(cyclohexylmethyl)-1-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperazine-2-carboxylate
CID 145147719
(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550272
3-phenylpropyl (3R,4R)-4-[(3R)-3-chloro-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylate
CID 70101697
(3R,4R)-1-[3-(4-fluorophenyl)propyl]-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70172353

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid?
The IUPAC name of 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid (CID 69362150) is 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid is COc1ccc2ncc(F)c([C@H](O)CCC3CCNCC3C(=O)O)c2c1.
What is the InChIKey of 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid?
The InChIKey is XPCANGWVLKKUHV-KDTYNDQISA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-26-12-3-4-16-13(8-12)18(15(20)10-22-16)17(23)5-2-11-6-7-21-9-14(11)19(24)25/h3-4,8,10-11,14,17,21,23H,2,5-7,9H2,1H3,(H,24,25)/t11?,14?,17-/m1/s1.
What are the key properties of 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid?
4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid has a molecular weight of 362.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 69362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).