2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol

C24H24N4O3 — CID 137278874

IUPAC2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol
SMILESCCOc1cc(-c2cc(NCCc3c(OC)ccc4ncccc34)ncn2)ccc1O
InChIInChI=1S/C24H24N4O3/c1-3-31-23-13-16(6-8-21(23)29)20-14-24(28-15-27-20)26-12-10-18-17-5-4-11-25-19(17)7-9-22(18)30-2/h4-9,11,13-15,29H,3,10,12H2,1-2H3,(H,26,27,28)
InChIKeyRSFUABFOEAUUMC-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.46
Rot. Bonds8

About 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol

2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol (PubChem CID 137278874) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol
PubChem CID137278874
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol
SMILESCCOc1cc(-c2cc(NCCc3c(OC)ccc4ncccc34)ncn2)ccc1O
InChIInChI=1S/C24H24N4O3/c1-3-31-23-13-16(6-8-21(23)29)20-14-24(28-15-27-20)26-12-10-18-17-5-4-11-25-19(17)7-9-22(18)30-2/h4-9,11,13-15,29H,3,10,12H2,1-2H3,(H,26,27,28)
InChIKeyRSFUABFOEAUUMC-UHFFFAOYSA-N
XLogP4.46
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol?
The IUPAC name of 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol (CID 137278874) is 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol is CCOc1cc(-c2cc(NCCc3c(OC)ccc4ncccc34)ncn2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol?
The InChIKey is RSFUABFOEAUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-31-23-13-16(6-8-21(23)29)20-14-24(28-15-27-20)26-12-10-18-17-5-4-11-25-19(17)7-9-22(18)30-2/h4-9,11,13-15,29H,3,10,12H2,1-2H3,(H,26,27,28).
What are the key properties of 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol?
2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol has a molecular weight of 416.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[6-[2-(6-methoxyquinolin-5-yl)ethylamino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137278874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).