1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea

C21H21N5O — CID 126008161

IUPAC1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea
SMILESO=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CCCCC1
InChIInChI=1S/C21H21N5O/c27-21(22-13-6-2-1-3-7-13)23-14-10-11-16-15(12-14)19-20(25-16)26-18-9-5-4-8-17(18)24-19/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H2,22,23,27)
InChIKeyWMYOQUAXPQTCAL-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.72
Rot. Bonds2

About 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea

1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea (PubChem CID 126008161) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea
PubChem CID126008161
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea
SMILESO=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CCCCC1
InChIInChI=1S/C21H21N5O/c27-21(22-13-6-2-1-3-7-13)23-14-10-11-16-15(12-14)19-20(25-16)26-18-9-5-4-8-17(18)24-19/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H2,22,23,27)
InChIKeyWMYOQUAXPQTCAL-UHFFFAOYSA-N
XLogP4.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
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CID 38265150
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780517
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
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CID 4149033

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea (CID 126008161) is 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea is O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea?
The InChIKey is WMYOQUAXPQTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(22-13-6-2-1-3-7-13)23-14-10-11-16-15(12-14)19-20(25-16)26-18-9-5-4-8-17(18)24-19/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H2,22,23,27).
What are the key properties of 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea?
1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea has a molecular weight of 359.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6H-indolo[3,2-b]quinoxalin-9-yl)urea is sourced from PubChem (CID 126008161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).