7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

C22H18N4O3S — CID 126504795

IUPAC7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4ncc(-c5ccsc5)c(OC)c4c3)c12
InChIInChI=1S/C22H18N4O3S/c1-3-29-18-6-8-23-21-19(18)26(22(27)25-21)14-4-5-17-15(10-14)20(28-2)16(11-24-17)13-7-9-30-12-13/h4-12H,3H2,1-2H3,(H,23,25,27)
InChIKeyPYXRAFWRDYRYQV-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.40
Rot. Bonds5

About 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 126504795) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID126504795
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4ncc(-c5ccsc5)c(OC)c4c3)c12
InChIInChI=1S/C22H18N4O3S/c1-3-29-18-6-8-23-21-19(18)26(22(27)25-21)14-4-5-17-15(10-14)20(28-2)16(11-24-17)13-7-9-30-12-13/h4-12H,3H2,1-2H3,(H,23,25,27)
InChIKeyPYXRAFWRDYRYQV-UHFFFAOYSA-N
XLogP4.40
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 126504795) is 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccnc2[nH]c(=O)n(-c3ccc4ncc(-c5ccsc5)c(OC)c4c3)c12.
What is the InChIKey of 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PYXRAFWRDYRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-3-29-18-6-8-23-21-19(18)26(22(27)25-21)14-4-5-17-15(10-14)20(28-2)16(11-24-17)13-7-9-30-12-13/h4-12H,3H2,1-2H3,(H,23,25,27).
What are the key properties of 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 418.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-(4-methoxy-3-thiophen-3-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 126504795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).