[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea

C19H22N4O2 — CID 75443696

IUPAC[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N4O2/c20-19(25)21-11-10-18(24)23-13-12-22(14-15-6-2-1-3-7-15)16-8-4-5-9-17(16)23/h1-9H,10-14H2,(H3,20,21,25)
InChIKeyBZMYZNFECXFCHB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.10
Rot. Bonds5

About [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea

[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea (PubChem CID 75443696) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea
PubChem CID75443696
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N4O2/c20-19(25)21-11-10-18(24)23-13-12-22(14-15-6-2-1-3-7-15)16-8-4-5-9-17(16)23/h1-9H,10-14H2,(H3,20,21,25)
InChIKeyBZMYZNFECXFCHB-UHFFFAOYSA-N
XLogP2.10
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea?
The IUPAC name of [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea (CID 75443696) is [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea.
What is the SMILES notation for [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea?
The canonical SMILES for [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CCN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea?
The InChIKey is BZMYZNFECXFCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-19(25)21-11-10-18(24)23-13-12-22(14-15-6-2-1-3-7-15)16-8-4-5-9-17(16)23/h1-9H,10-14H2,(H3,20,21,25).
What are the key properties of [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea?
[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea is sourced from PubChem (CID 75443696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).