4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine

C14H19N3O — CID 103962995

IUPAC4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
SMILESCCN(CCOC)c1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-17(8-9-18-2)14-11-6-4-5-7-13(11)16-10-12(14)15/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyIRYRTYDBGKLGAI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.29
Rot. Bonds5

About 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine

4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine (PubChem CID 103962995) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
PubChem CID103962995
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
SMILESCCN(CCOC)c1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-17(8-9-18-2)14-11-6-4-5-7-13(11)16-10-12(14)15/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyIRYRTYDBGKLGAI-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
CID 103963108
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
5-bromo-4-N-ethyl-4-N-(2-methoxyethyl)pyridine-3,4-diamine
CID 103517846
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
CID 103962715
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine (CID 103962995) is 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine is CCN(CCOC)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine?
The InChIKey is IRYRTYDBGKLGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17(8-9-18-2)14-11-6-4-5-7-13(11)16-10-12(14)15/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine?
4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103962995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).