2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine

C14H17N3O — CID 43383029

IUPAC2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(NCC3CCCO3)ccc2c1
InChIInChI=1S/C14H17N3O/c15-11-4-5-13-10(8-11)3-6-14(17-13)16-9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9,15H2,(H,16,17)
InChIKeyQFUMRHSAFYMDHW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.41
Rot. Bonds3

About 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine

2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine (PubChem CID 43383029) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
PubChem CID43383029
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(NCC3CCCO3)ccc2c1
InChIInChI=1S/C14H17N3O/c15-11-4-5-13-10(8-11)3-6-14(17-13)16-9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9,15H2,(H,16,17)
InChIKeyQFUMRHSAFYMDHW-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine 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-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine
CID 62822753
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
CID 166385524
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine (CID 43383029) is 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine is Nc1ccc2nc(NCC3CCCO3)ccc2c1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine?
The InChIKey is QFUMRHSAFYMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-11-4-5-13-10(8-11)3-6-14(17-13)16-9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9,15H2,(H,16,17).
What are the key properties of 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine?
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 43383029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).