N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine

C25H25N3O3 — CID 167873571

IUPACN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine
SMILESCCOc1ccccc1Oc1ccc(CNc2cc(C)nc3cc(OC)ccc23)cn1
InChIInChI=1S/C25H25N3O3/c1-4-30-23-7-5-6-8-24(23)31-25-12-9-18(16-27-25)15-26-21-13-17(2)28-22-14-19(29-3)10-11-20(21)22/h5-14,16H,4,15H2,1-3H3,(H,26,28)
InChIKeyGMUWFBQWYAXKPN-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.75
Rot. Bonds8

About N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine (PubChem CID 167873571) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine
PubChem CID167873571
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine
SMILESCCOc1ccccc1Oc1ccc(CNc2cc(C)nc3cc(OC)ccc23)cn1
InChIInChI=1S/C25H25N3O3/c1-4-30-23-7-5-6-8-24(23)31-25-12-9-18(16-27-25)15-26-21-13-17(2)28-22-14-19(29-3)10-11-20(21)22/h5-14,16H,4,15H2,1-3H3,(H,26,28)
InChIKeyGMUWFBQWYAXKPN-UHFFFAOYSA-N
XLogP5.75
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine (CID 167873571) is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine is CCOc1ccccc1Oc1ccc(CNc2cc(C)nc3cc(OC)ccc23)cn1.
What is the InChIKey of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is GMUWFBQWYAXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-4-30-23-7-5-6-8-24(23)31-25-12-9-18(16-27-25)15-26-21-13-17(2)28-22-14-19(29-3)10-11-20(21)22/h5-14,16H,4,15H2,1-3H3,(H,26,28).
What are the key properties of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine?
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 415.49 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 167873571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).