1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea

C15H20N4O — CID 798077

IUPAC1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea
SMILESCC(C)N(C(=O)Nc1ccc2nccnc2c1)C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)19(11(3)4)15(20)18-12-5-6-13-14(9-12)17-8-7-16-13/h5-11H,1-4H3,(H,18,20)
InChIKeyBDYKNVRHMRWMMB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.28
Rot. Bonds3

About 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea

1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea (PubChem CID 798077) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea.

Molecular Properties

Compound Name1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea
PubChem CID798077
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea
SMILESCC(C)N(C(=O)Nc1ccc2nccnc2c1)C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)19(11(3)4)15(20)18-12-5-6-13-14(9-12)17-8-7-16-13/h5-11H,1-4H3,(H,18,20)
InChIKeyBDYKNVRHMRWMMB-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea?
The IUPAC name of 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea (CID 798077) is 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea.
What is the SMILES notation for 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea?
The canonical SMILES for 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea is CC(C)N(C(=O)Nc1ccc2nccnc2c1)C(C)C.
What is the InChIKey of 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea?
The InChIKey is BDYKNVRHMRWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)19(11(3)4)15(20)18-12-5-6-13-14(9-12)17-8-7-16-13/h5-11H,1-4H3,(H,18,20).
What are the key properties of 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea?
1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea has a molecular weight of 272.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)-3-quinoxalin-6-ylurea is sourced from PubChem (CID 798077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).