1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea

C19H21N5O — CID 108885626

IUPAC1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)Nc3cccc(N(C)C)c3)cc2nc1C
InChIInChI=1S/C19H21N5O/c1-12-13(2)21-18-11-15(8-9-17(18)20-12)23-19(25)22-14-6-5-7-16(10-14)24(3)4/h5-11H,1-4H3,(H2,22,23,25)
InChIKeyQTKITNBOGQVJLI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.96
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea

1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea (PubChem CID 108885626) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
PubChem CID108885626
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)Nc3cccc(N(C)C)c3)cc2nc1C
InChIInChI=1S/C19H21N5O/c1-12-13(2)21-18-11-15(8-9-17(18)20-12)23-19(25)22-14-6-5-7-16(10-14)24(3)4/h5-11H,1-4H3,(H2,22,23,25)
InChIKeyQTKITNBOGQVJLI-UHFFFAOYSA-N
XLogP3.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]benzenesulfonic acid
CID 108885439
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885528
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811956
1-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
CID 108885600

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea (CID 108885626) is 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea is Cc1nc2ccc(NC(=O)Nc3cccc(N(C)C)c3)cc2nc1C.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The InChIKey is QTKITNBOGQVJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-13(2)21-18-11-15(8-9-17(18)20-12)23-19(25)22-14-6-5-7-16(10-14)24(3)4/h5-11H,1-4H3,(H2,22,23,25).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea is sourced from PubChem (CID 108885626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).