(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone

C16H19N3O — CID 110487263

IUPAC(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3cccc(N)c3n2)C1
InChIInChI=1S/C16H19N3O/c1-11-4-3-9-19(10-11)16(20)14-8-7-12-5-2-6-13(17)15(12)18-14/h2,5-8,11H,3-4,9-10,17H2,1H3
InChIKeyXDDAKDCKPNMQJJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.69
Rot. Bonds1

About (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone

(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110487263) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110487263
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3cccc(N)c3n2)C1
InChIInChI=1S/C16H19N3O/c1-11-4-3-9-19(10-11)16(20)14-8-7-12-5-2-6-13(17)15(12)18-14/h2,5-8,11H,3-4,9-10,17H2,1H3
InChIKeyXDDAKDCKPNMQJJ-UHFFFAOYSA-N
XLogP2.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110464455
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 97149570
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211130

Frequently Asked Questions

What is the IUPAC name of (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone (CID 110487263) is (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc3cccc(N)c3n2)C1.
What is the InChIKey of (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is XDDAKDCKPNMQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-3-9-19(10-11)16(20)14-8-7-12-5-2-6-13(17)15(12)18-14/h2,5-8,11H,3-4,9-10,17H2,1H3.
What are the key properties of (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110487263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).