(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone

C17H20N2O3 — CID 111459532

IUPAC(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(C)cc(C(=O)N3CCC(O)CC3)c2c1
InChIInChI=1S/C17H20N2O3/c1-11-9-15(17(21)19-7-5-12(20)6-8-19)14-10-13(22-2)3-4-16(14)18-11/h3-4,9-10,12,20H,5-8H2,1-2H3
InChIKeyUBXNPRDCXHCNEK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.15
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone

(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone (PubChem CID 111459532) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
PubChem CID111459532
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(C)cc(C(=O)N3CCC(O)CC3)c2c1
InChIInChI=1S/C17H20N2O3/c1-11-9-15(17(21)19-7-5-12(20)6-8-19)14-10-13(22-2)3-4-16(14)18-11/h3-4,9-10,12,20H,5-8H2,1-2H3
InChIKeyUBXNPRDCXHCNEK-UHFFFAOYSA-N
XLogP2.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110897019
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
CID 126438254
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 75469406
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone (CID 111459532) is (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone is COc1ccc2nc(C)cc(C(=O)N3CCC(O)CC3)c2c1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone?
The InChIKey is UBXNPRDCXHCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-9-15(17(21)19-7-5-12(20)6-8-19)14-10-13(22-2)3-4-16(14)18-11/h3-4,9-10,12,20H,5-8H2,1-2H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone?
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 111459532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).