N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide

C20H19N3O2 — CID 10592763

IUPACN-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3oc4ccccc4c3nc12
InChIInChI=1S/C20H19N3O2/c1-23(2)11-10-21-20(24)15-8-5-6-13-12-17-19(22-18(13)15)14-7-3-4-9-16(14)25-17/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyOIMHKZJEBMWPOX-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide (PubChem CID 10592763) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide
PubChem CID10592763
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3oc4ccccc4c3nc12
InChIInChI=1S/C20H19N3O2/c1-23(2)11-10-21-20(24)15-8-5-6-13-12-17-19(22-18(13)15)14-7-3-4-9-16(14)25-17/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyOIMHKZJEBMWPOX-UHFFFAOYSA-N
XLogP3.43
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide (CID 10592763) is N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3oc4ccccc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide?
The InChIKey is OIMHKZJEBMWPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(2)11-10-21-20(24)15-8-5-6-13-12-17-19(22-18(13)15)14-7-3-4-9-16(14)25-17/h3-9,12H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-[1]benzofuro[3,2-b]quinoline-4-carboxamide is sourced from PubChem (CID 10592763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).