molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea

C16H25N3O — CID 166479432

IUPACmolecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea
SMILESCC(C)NC(=O)Nc1ccc2nc(C(C)C)ccc2c1.[H][H].[H][H]
InChIInChI=1S/C16H21N3O.2H2/c1-10(2)14-7-5-12-9-13(6-8-15(12)19-14)18-16(20)17-11(3)4;;/h5-11H,1-4H3,(H2,17,18,20);2*1H
InChIKeyLRSXTDQLNKKUQR-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.38
Rot. Bonds3

About molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea

molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea (PubChem CID 166479432) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea.

Molecular Properties

Compound Namemolecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea
PubChem CID166479432
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Namemolecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea
SMILESCC(C)NC(=O)Nc1ccc2nc(C(C)C)ccc2c1.[H][H].[H][H]
InChIInChI=1S/C16H21N3O.2H2/c1-10(2)14-7-5-12-9-13(6-8-15(12)19-14)18-16(20)17-11(3)4;;/h5-11H,1-4H3,(H2,17,18,20);2*1H
InChIKeyLRSXTDQLNKKUQR-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea 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 molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea?
The IUPAC name of molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea (CID 166479432) is molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea.
What is the SMILES notation for molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea?
The canonical SMILES for molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea is CC(C)NC(=O)Nc1ccc2nc(C(C)C)ccc2c1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea?
The InChIKey is LRSXTDQLNKKUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.2H2/c1-10(2)14-7-5-12-9-13(6-8-15(12)19-14)18-16(20)17-11(3)4;;/h5-11H,1-4H3,(H2,17,18,20);2*1H.
What are the key properties of molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea?
molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea has a molecular weight of 275.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea is sourced from PubChem (CID 166479432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).