(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone

C17H20N2O2 — CID 110849120

IUPAC(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cnc2ccccc2c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-19(10-8-12)17(20)16-13-5-3-4-6-14(13)18-11-15(16)21-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPNSJQCPEZWQVPO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.12
Rot. Bonds2

About (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone

(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110849120) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110849120
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cnc2ccccc2c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-19(10-8-12)17(20)16-13-5-3-4-6-14(13)18-11-15(16)21-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPNSJQCPEZWQVPO-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(3-methoxyquinolin-4-yl)methanone
CID 136558459
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate
CID 167814123
3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16669189
3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid
CID 79591739
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2378987
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42843948
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875

Frequently Asked Questions

What is the IUPAC name of (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 110849120) is (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone is COc1cnc2ccccc2c1C(=O)N1CCC(C)CC1.
What is the InChIKey of (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PNSJQCPEZWQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-9-19(10-8-12)17(20)16-13-5-3-4-6-14(13)18-11-15(16)21-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone?
(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110849120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).