3-aminopropyl N-quinolin-2-ylcarbamate

C13H15N3O2 — CID 177400017

IUPAC3-aminopropyl N-quinolin-2-ylcarbamate
SMILESNCCCOC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c14-8-3-9-18-13(17)16-12-7-6-10-4-1-2-5-11(10)15-12/h1-2,4-7H,3,8-9,14H2,(H,15,16,17)
InChIKeyIWNYICTZZACLNQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds4

About 3-aminopropyl N-quinolin-2-ylcarbamate

3-aminopropyl N-quinolin-2-ylcarbamate (PubChem CID 177400017) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-aminopropyl N-quinolin-2-ylcarbamate.

Molecular Properties

Compound Name3-aminopropyl N-quinolin-2-ylcarbamate
PubChem CID177400017
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-aminopropyl N-quinolin-2-ylcarbamate
SMILESNCCCOC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c14-8-3-9-18-13(17)16-12-7-6-10-4-1-2-5-11(10)15-12/h1-2,4-7H,3,8-9,14H2,(H,15,16,17)
InChIKeyIWNYICTZZACLNQ-UHFFFAOYSA-N
XLogP2.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-aminopropyl N-quinolin-2-ylcarbamate 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-amino-N-quinolin-2-ylacetamide
CID 54505370
2-(2-fluorophenyl)-N-quinolin-2-ylacetamide
CID 51193537
2-(cyclopropylmethoxy)-N-quinolin-2-ylacetamide
CID 51081116
2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
CID 54185364
1-(2-fluorophenyl)-3-quinolin-2-ylurea
CID 2812960
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912
2-quinolin-2-yloxyethanamine
CID 62348403
ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956
3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
CID 47019756

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl N-quinolin-2-ylcarbamate?
The IUPAC name of 3-aminopropyl N-quinolin-2-ylcarbamate (CID 177400017) is 3-aminopropyl N-quinolin-2-ylcarbamate.
What is the SMILES notation for 3-aminopropyl N-quinolin-2-ylcarbamate?
The canonical SMILES for 3-aminopropyl N-quinolin-2-ylcarbamate is NCCCOC(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of 3-aminopropyl N-quinolin-2-ylcarbamate?
The InChIKey is IWNYICTZZACLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-3-9-18-13(17)16-12-7-6-10-4-1-2-5-11(10)15-12/h1-2,4-7H,3,8-9,14H2,(H,15,16,17).
What are the key properties of 3-aminopropyl N-quinolin-2-ylcarbamate?
3-aminopropyl N-quinolin-2-ylcarbamate has a molecular weight of 245.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl N-quinolin-2-ylcarbamate is sourced from PubChem (CID 177400017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).