8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane

C20H19ClN2O2 — CID 144862006

IUPAC8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane
SMILESCC.Cc1cc(-c2c(C)c(=O)[nH]c3c2oc2ccc(Cl)cc23)ccn1
InChIInChI=1S/C18H13ClN2O2.C2H6/c1-9-7-11(5-6-20-9)15-10(2)18(22)21-16-13-8-12(19)3-4-14(13)23-17(15)16;1-2/h3-8H,1-2H3,(H,21,22);1-2H3
InChIKeyHPWAQACSPGDGFD-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.63
Rot. Bonds1

About 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane

8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane (PubChem CID 144862006) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane.

Molecular Properties

Compound Name8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane
PubChem CID144862006
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane
SMILESCC.Cc1cc(-c2c(C)c(=O)[nH]c3c2oc2ccc(Cl)cc23)ccn1
InChIInChI=1S/C18H13ClN2O2.C2H6/c1-9-7-11(5-6-20-9)15-10(2)18(22)21-16-13-8-12(19)3-4-14(13)23-17(15)16;1-2/h3-8H,1-2H3,(H,21,22);1-2H3
InChIKeyHPWAQACSPGDGFD-UHFFFAOYSA-N
XLogP5.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane?
The IUPAC name of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane (CID 144862006) is 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane.
What is the SMILES notation for 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane?
The canonical SMILES for 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane is CC.Cc1cc(-c2c(C)c(=O)[nH]c3c2oc2ccc(Cl)cc23)ccn1.
What is the InChIKey of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane?
The InChIKey is HPWAQACSPGDGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2.C2H6/c1-9-7-11(5-6-20-9)15-10(2)18(22)21-16-13-8-12(19)3-4-14(13)23-17(15)16;1-2/h3-8H,1-2H3,(H,21,22);1-2H3.
What are the key properties of 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane?
8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane has a molecular weight of 354.84 g/mol, XLogP of 5.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one;ethane is sourced from PubChem (CID 144862006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).