4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine

C15H21N3O2 — CID 86052490

IUPAC4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
SMILESCCOC(CNc1c(N)cnc2ccccc12)OCC
InChIInChI=1S/C15H21N3O2/c1-3-19-14(20-4-2)10-18-15-11-7-5-6-8-13(11)17-9-12(15)16/h5-9,14H,3-4,10,16H2,1-2H3,(H,17,18)
InChIKeyWBACLKHQAGXVBN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.63
Rot. Bonds7

About 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine

4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine (PubChem CID 86052490) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
PubChem CID86052490
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
SMILESCCOC(CNc1c(N)cnc2ccccc12)OCC
InChIInChI=1S/C15H21N3O2/c1-3-19-14(20-4-2)10-18-15-11-7-5-6-8-13(11)17-9-12(15)16/h5-9,14H,3-4,10,16H2,1-2H3,(H,17,18)
InChIKeyWBACLKHQAGXVBN-UHFFFAOYSA-N
XLogP2.63
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
CID 156777884
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
CID 103963247

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine (CID 86052490) is 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine is CCOC(CNc1c(N)cnc2ccccc12)OCC.
What is the InChIKey of 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine?
The InChIKey is WBACLKHQAGXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-19-14(20-4-2)10-18-15-11-7-5-6-8-13(11)17-9-12(15)16/h5-9,14H,3-4,10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine?
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine has a molecular weight of 275.35 g/mol, XLogP of 2.63, 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-diethoxyethyl)quinoline-3,4-diamine is sourced from PubChem (CID 86052490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).