1-isoquinolin-5-yl-3-(1-phenylpropyl)urea

C19H19N3O — CID 24768203

IUPAC1-isoquinolin-5-yl-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-2-17(14-7-4-3-5-8-14)21-19(23)22-18-10-6-9-15-13-20-12-11-16(15)18/h3-13,17H,2H2,1H3,(H2,21,22,23)
InChIKeyMDUZRJXYUICAEF-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.51
Rot. Bonds4

About 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea

1-isoquinolin-5-yl-3-(1-phenylpropyl)urea (PubChem CID 24768203) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-isoquinolin-5-yl-3-(1-phenylpropyl)urea
PubChem CID24768203
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-isoquinolin-5-yl-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1cccc2cnccc12)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-2-17(14-7-4-3-5-8-14)21-19(23)22-18-10-6-9-15-13-20-12-11-16(15)18/h3-13,17H,2H2,1H3,(H2,21,22,23)
InChIKeyMDUZRJXYUICAEF-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea?
The IUPAC name of 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea (CID 24768203) is 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea is CCC(NC(=O)Nc1cccc2cnccc12)c1ccccc1.
What is the InChIKey of 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea?
The InChIKey is MDUZRJXYUICAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-17(14-7-4-3-5-8-14)21-19(23)22-18-10-6-9-15-13-20-12-11-16(15)18/h3-13,17H,2H2,1H3,(H2,21,22,23).
What are the key properties of 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea?
1-isoquinolin-5-yl-3-(1-phenylpropyl)urea has a molecular weight of 305.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-3-(1-phenylpropyl)urea is sourced from PubChem (CID 24768203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).