2-(quinolin-8-ylmethylamino)ethyl carbamate

C13H15N3O2 — CID 83209261

IUPAC2-(quinolin-8-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCc1cccc2cccnc12
InChIInChI=1S/C13H15N3O2/c14-13(17)18-8-7-15-9-11-4-1-3-10-5-2-6-16-12(10)11/h1-6,15H,7-9H2,(H2,14,17)
InChIKeyZLAAXNXJIACQBM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.42
Rot. Bonds5

About 2-(quinolin-8-ylmethylamino)ethyl carbamate

2-(quinolin-8-ylmethylamino)ethyl carbamate (PubChem CID 83209261) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(quinolin-8-ylmethylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(quinolin-8-ylmethylamino)ethyl carbamate
PubChem CID83209261
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(quinolin-8-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCc1cccc2cccnc12
InChIInChI=1S/C13H15N3O2/c14-13(17)18-8-7-15-9-11-4-1-3-10-5-2-6-16-12(10)11/h1-6,15H,7-9H2,(H2,14,17)
InChIKeyZLAAXNXJIACQBM-UHFFFAOYSA-N
XLogP1.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(quinolin-8-ylmethylamino)ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
CID 103258791
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-ylmethylamino)ethyl carbamate?
The IUPAC name of 2-(quinolin-8-ylmethylamino)ethyl carbamate (CID 83209261) is 2-(quinolin-8-ylmethylamino)ethyl carbamate.
What is the SMILES notation for 2-(quinolin-8-ylmethylamino)ethyl carbamate?
The canonical SMILES for 2-(quinolin-8-ylmethylamino)ethyl carbamate is NC(=O)OCCNCc1cccc2cccnc12.
What is the InChIKey of 2-(quinolin-8-ylmethylamino)ethyl carbamate?
The InChIKey is ZLAAXNXJIACQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-13(17)18-8-7-15-9-11-4-1-3-10-5-2-6-16-12(10)11/h1-6,15H,7-9H2,(H2,14,17).
What are the key properties of 2-(quinolin-8-ylmethylamino)ethyl carbamate?
2-(quinolin-8-ylmethylamino)ethyl carbamate has a molecular weight of 245.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-ylmethylamino)ethyl carbamate is sourced from PubChem (CID 83209261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).