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

C12H15N3O — CID 155543143

IUPAC4-N-(2-methoxyethyl)quinoline-2,4-diamine
SMILESCOCCNc1cc(N)nc2ccccc12
InChIInChI=1S/C12H15N3O/c1-16-7-6-14-11-8-12(13)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyHEDDTGIEHKYWOX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.88
Rot. Bonds4

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

4-N-(2-methoxyethyl)quinoline-2,4-diamine (PubChem CID 155543143) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)quinoline-2,4-diamine
PubChem CID155543143
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-N-(2-methoxyethyl)quinoline-2,4-diamine
SMILESCOCCNc1cc(N)nc2ccccc12
InChIInChI=1S/C12H15N3O/c1-16-7-6-14-11-8-12(13)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyHEDDTGIEHKYWOX-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
4-Methylquinolin-2-amine
CID 231935
N,N-dimethylquinolin-2-amine
CID 588801
1-[2-(Dimethylamino)quinolin-4-yl]-3-phenylurea
CID 2824465
5-(4-Azanylbutyl)-3-Pentyl-Quinolin-2-Amine
CID 121231448
Ethanol, 2-(9-acridinylamino)-
CID 145758
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
2-[(4-Phenylquinazolin-2-yl)amino]ethanol
CID 661382
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
N-Methylquinolin-2-amine
CID 12548157

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)quinoline-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)quinoline-2,4-diamine (CID 155543143) is 4-N-(2-methoxyethyl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)quinoline-2,4-diamine is COCCNc1cc(N)nc2ccccc12.
What is the InChIKey of 4-N-(2-methoxyethyl)quinoline-2,4-diamine?
The InChIKey is HEDDTGIEHKYWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-7-6-14-11-8-12(13)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H3,13,14,15).
What are the key properties of 4-N-(2-methoxyethyl)quinoline-2,4-diamine?
4-N-(2-methoxyethyl)quinoline-2,4-diamine has a molecular weight of 217.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)quinoline-2,4-diamine is sourced from PubChem (CID 155543143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).