[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate

C19H25N3O2 — CID 91346957

IUPAC[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
SMILESCCN(C)Cc1ccc(OC(=O)N2CCCCC2)c2ncccc12
InChIInChI=1S/C19H25N3O2/c1-3-21(2)14-15-9-10-17(18-16(15)8-7-11-20-18)24-19(23)22-12-5-4-6-13-22/h7-11H,3-6,12-14H2,1-2H3
InChIKeyGRRSCJWFBVLEKT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.67
Rot. Bonds4

About [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate

[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate (PubChem CID 91346957) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
PubChem CID91346957
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
SMILESCCN(C)Cc1ccc(OC(=O)N2CCCCC2)c2ncccc12
InChIInChI=1S/C19H25N3O2/c1-3-21(2)14-15-9-10-17(18-16(15)8-7-11-20-18)24-19(23)22-12-5-4-6-13-22/h7-11H,3-6,12-14H2,1-2H3
InChIKeyGRRSCJWFBVLEKT-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate with MolForge

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Related Compounds

2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
CID 68660527
[5-[[[8-(dimethylcarbamoyloxy)quinolin-5-yl]methyl-ethynylamino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46862050
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
[5-(pyrrolidin-1-ylmethyl)quinolin-8-yl] 2-methylbenzoate
CID 5119641
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
[5-[(4-prop-2-ynylpiperidin-1-yl)methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46843060
[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N-(3,5-dimethyl-1-adamantyl)carbamate
CID 46861941
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
(5-nitroquinolin-8-yl) morpholine-4-carboxylate
CID 175460735
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74235153
(2-chloro-3-pyridinyl) azetidine-1-carboxylate
CID 169229257

Frequently Asked Questions

What is the IUPAC name of [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate?
The IUPAC name of [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate (CID 91346957) is [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate.
What is the SMILES notation for [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate?
The canonical SMILES for [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate is CCN(C)Cc1ccc(OC(=O)N2CCCCC2)c2ncccc12.
What is the InChIKey of [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate?
The InChIKey is GRRSCJWFBVLEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-21(2)14-15-9-10-17(18-16(15)8-7-11-20-18)24-19(23)22-12-5-4-6-13-22/h7-11H,3-6,12-14H2,1-2H3.
What are the key properties of [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate?
[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate is sourced from PubChem (CID 91346957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).