N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine

C23H24N2O4 — CID 46197129

IUPACN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine
SMILESC#Cc1cccc(Nc2ccnc3cc(OCCOC)c(OCCOC)cc23)c1
InChIInChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)
InChIKeyZQYQKUIFZATHRG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.01
Rot. Bonds10

About N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine

N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine (PubChem CID 46197129) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine
PubChem CID46197129
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine
SMILESC#Cc1cccc(Nc2ccnc3cc(OCCOC)c(OCCOC)cc23)c1
InChIInChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)
InChIKeyZQYQKUIFZATHRG-UHFFFAOYSA-N
XLogP4.01
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine?
The IUPAC name of N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine (CID 46197129) is N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine.
What is the SMILES notation for N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine?
The canonical SMILES for N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine is C#Cc1cccc(Nc2ccnc3cc(OCCOC)c(OCCOC)cc23)c1.
What is the InChIKey of N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine?
The InChIKey is ZQYQKUIFZATHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25).
What are the key properties of N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine?
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine is sourced from PubChem (CID 46197129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).