1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

C21H21N5O — CID 108885678

IUPAC1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCc1nc2ccc(NC(=O)NCCc3c[nH]c4ccccc34)cc2nc1C
InChIInChI=1S/C21H21N5O/c1-13-14(2)25-20-11-16(7-8-19(20)24-13)26-21(27)22-10-9-15-12-23-18-6-4-3-5-17(15)18/h3-8,11-12,23H,9-10H2,1-2H3,(H2,22,26,27)
InChIKeyHHDRYVIIWFBJAD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.09
Rot. Bonds4

About 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 108885678) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID108885678
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCc1nc2ccc(NC(=O)NCCc3c[nH]c4ccccc34)cc2nc1C
InChIInChI=1S/C21H21N5O/c1-13-14(2)25-20-11-16(7-8-19(20)24-13)26-21(27)22-10-9-15-12-23-18-6-4-3-5-17(15)18/h3-8,11-12,23H,9-10H2,1-2H3,(H2,22,26,27)
InChIKeyHHDRYVIIWFBJAD-UHFFFAOYSA-N
XLogP4.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587
1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 4584277
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 108885678) is 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea is Cc1nc2ccc(NC(=O)NCCc3c[nH]c4ccccc34)cc2nc1C.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is HHDRYVIIWFBJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-14(2)25-20-11-16(7-8-19(20)24-13)26-21(27)22-10-9-15-12-23-18-6-4-3-5-17(15)18/h3-8,11-12,23H,9-10H2,1-2H3,(H2,22,26,27).
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 359.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 108885678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).