1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea

C19H20N4O2 — CID 20924480

IUPAC1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea
SMILESCC(C)Cn1cc(NC(=O)Nc2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-13(2)11-23-12-17(15-7-3-4-8-16(15)18(23)24)22-19(25)21-14-6-5-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H2,21,22,25)
InChIKeyCJYMBIWPABVFHI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea

1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea (PubChem CID 20924480) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea
PubChem CID20924480
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea
SMILESCC(C)Cn1cc(NC(=O)Nc2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-13(2)11-23-12-17(15-7-3-4-8-16(15)18(23)24)22-19(25)21-14-6-5-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H2,21,22,25)
InChIKeyCJYMBIWPABVFHI-UHFFFAOYSA-N
XLogP3.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea (CID 20924480) is 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea is CC(C)Cn1cc(NC(=O)Nc2cccnc2)c2ccccc2c1=O.
What is the InChIKey of 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is CJYMBIWPABVFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)11-23-12-17(15-7-3-4-8-16(15)18(23)24)22-19(25)21-14-6-5-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea?
1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 336.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 20924480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).