1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea

C19H20N4O — CID 108885528

IUPAC1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c(C)c1
InChIInChI=1S/C19H20N4O/c1-11-5-7-16(12(2)9-11)23-19(24)22-15-6-8-17-18(10-15)21-14(4)13(3)20-17/h5-10H,1-4H3,(H2,22,23,24)
InChIKeyMABKGIDDAMFQKZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.51
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea

1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea (PubChem CID 108885528) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
PubChem CID108885528
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c(C)c1
InChIInChI=1S/C19H20N4O/c1-11-5-7-16(12(2)9-11)23-19(24)22-15-6-8-17-18(10-15)21-14(4)13(3)20-17/h5-10H,1-4H3,(H2,22,23,24)
InChIKeyMABKGIDDAMFQKZ-UHFFFAOYSA-N
XLogP4.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
1-(4-amino-2-chlorophenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885532
1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382482
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
3-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]benzenesulfonic acid
CID 108885439
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
CID 108885600
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 46381150

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea (CID 108885528) is 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea is Cc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea?
The InChIKey is MABKGIDDAMFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-11-5-7-16(12(2)9-11)23-19(24)22-15-6-8-17-18(10-15)21-14(4)13(3)20-17/h5-10H,1-4H3,(H2,22,23,24).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea?
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea has a molecular weight of 320.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea is sourced from PubChem (CID 108885528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).