(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C16H19N3O2 — CID 81109203

IUPAC(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(N)nc3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-16(21)6-8-19(9-7-16)15(20)12-10-14(17)18-13-5-3-2-4-11(12)13/h2-5,10,21H,6-9H2,1H3,(H2,17,18)
InChIKeyUNJIGAWDQGOROC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.80
Rot. Bonds1

About (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81109203) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81109203
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(N)nc3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-16(21)6-8-19(9-7-16)15(20)12-10-14(17)18-13-5-3-2-4-11(12)13/h2-5,10,21H,6-9H2,1H3,(H2,17,18)
InChIKeyUNJIGAWDQGOROC-UHFFFAOYSA-N
XLogP1.80
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 63600921
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 80710393
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358352
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698

Frequently Asked Questions

What is the IUPAC name of (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81109203) is (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(N)nc3ccccc23)CC1.
What is the InChIKey of (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is UNJIGAWDQGOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(21)6-8-19(9-7-16)15(20)12-10-14(17)18-13-5-3-2-4-11(12)13/h2-5,10,21H,6-9H2,1H3,(H2,17,18).
What are the key properties of (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81109203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).