1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea

C20H19N3O2 — CID 11336543

IUPAC1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O2/c1-2-9-21-20(25)22-13-7-8-14-12(10-13)11-17-15-5-3-4-6-16(15)19(24)23-18(14)17/h3-8,10H,2,9,11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyKMAAIUMLIPAUFN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.63
Rot. Bonds3

About 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea

1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea (PubChem CID 11336543) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea.

Molecular Properties

Compound Name1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea
PubChem CID11336543
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O2/c1-2-9-21-20(25)22-13-7-8-14-12(10-13)11-17-15-5-3-4-6-16(15)19(24)23-18(14)17/h3-8,10H,2,9,11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyKMAAIUMLIPAUFN-UHFFFAOYSA-N
XLogP3.63
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea?
The IUPAC name of 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea (CID 11336543) is 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea.
What is the SMILES notation for 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea?
The canonical SMILES for 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea is CCCNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12.
What is the InChIKey of 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea?
The InChIKey is KMAAIUMLIPAUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-9-21-20(25)22-13-7-8-14-12(10-13)11-17-15-5-3-4-6-16(15)19(24)23-18(14)17/h3-8,10H,2,9,11H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea?
1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea has a molecular weight of 333.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)-3-propylurea is sourced from PubChem (CID 11336543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).