4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine

C14H19N3O2 — CID 103963149

IUPAC4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
SMILESCOCCOCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O2/c1-18-8-9-19-7-6-16-14-11-4-2-3-5-13(11)17-10-12(14)15/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyNGYRUMXWTPFVTH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.89
Rot. Bonds7

About 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine

4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine (PubChem CID 103963149) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
PubChem CID103963149
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
SMILESCOCCOCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O2/c1-18-8-9-19-7-6-16-14-11-4-2-3-5-13(11)17-10-12(14)15/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyNGYRUMXWTPFVTH-UHFFFAOYSA-N
XLogP1.89
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
CID 106394501
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
CID 103963489
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
CID 171035159

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine (CID 103963149) is 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine is COCCOCCNc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine?
The InChIKey is NGYRUMXWTPFVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-8-9-19-7-6-16-14-11-4-2-3-5-13(11)17-10-12(14)15/h2-5,10H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine?
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine has a molecular weight of 261.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 103963149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).