3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea

C19H28N4O — CID 108885651

IUPAC3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea
SMILESCc1nc2ccc(NC(=O)N(CC(C)C)CC(C)C)cc2nc1C
InChIInChI=1S/C19H28N4O/c1-12(2)10-23(11-13(3)4)19(24)22-16-7-8-17-18(9-16)21-15(6)14(5)20-17/h7-9,12-13H,10-11H2,1-6H3,(H,22,24)
InChIKeyKOAFXYAQUJOUGZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.39
Rot. Bonds5

About 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea

3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea (PubChem CID 108885651) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea
PubChem CID108885651
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea
SMILESCc1nc2ccc(NC(=O)N(CC(C)C)CC(C)C)cc2nc1C
InChIInChI=1S/C19H28N4O/c1-12(2)10-23(11-13(3)4)19(24)22-16-7-8-17-18(9-16)21-15(6)14(5)20-17/h7-9,12-13H,10-11H2,1-6H3,(H,22,24)
InChIKeyKOAFXYAQUJOUGZ-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea (CID 108885651) is 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea is Cc1nc2ccc(NC(=O)N(CC(C)C)CC(C)C)cc2nc1C.
What is the InChIKey of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is KOAFXYAQUJOUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-12(2)10-23(11-13(3)4)19(24)22-16-7-8-17-18(9-16)21-15(6)14(5)20-17/h7-9,12-13H,10-11H2,1-6H3,(H,22,24).
What are the key properties of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea?
3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 328.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylquinoxalin-6-yl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 108885651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).