4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine

C15H19N3O — CID 103000863

IUPAC4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
SMILESNc1ccc2c(NCC3CCCCO3)ccnc2c1
InChIInChI=1S/C15H19N3O/c16-11-4-5-13-14(6-7-17-15(13)9-11)18-10-12-3-1-2-8-19-12/h4-7,9,12H,1-3,8,10,16H2,(H,17,18)
InChIKeyJEQJNFSJJZTICX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.80
Rot. Bonds3

About 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine

4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine (PubChem CID 103000863) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
PubChem CID103000863
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
SMILESNc1ccc2c(NCC3CCCCO3)ccnc2c1
InChIInChI=1S/C15H19N3O/c16-11-4-5-13-14(6-7-17-15(13)9-11)18-10-12-3-1-2-8-19-12/h4-7,9,12H,1-3,8,10,16H2,(H,17,18)
InChIKeyJEQJNFSJJZTICX-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(oxan-2-ylmethyl)quinoline-4,7-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

4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
CID 107416668
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine (CID 103000863) is 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine is Nc1ccc2c(NCC3CCCCO3)ccnc2c1.
What is the InChIKey of 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine?
The InChIKey is JEQJNFSJJZTICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-4-5-13-14(6-7-17-15(13)9-11)18-10-12-3-1-2-8-19-12/h4-7,9,12H,1-3,8,10,16H2,(H,17,18).
What are the key properties of 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine?
4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).