1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea

C18H16N8O — CID 58881777

IUPAC1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc4nccnc4c3)nc2n1
InChIInChI=1S/C18H16N8O/c1-2-19-18(27)26-15-6-5-13-17(24-15)25-16(10-22-13)23-11-3-4-12-14(9-11)21-8-7-20-12/h3-10H,2H2,1H3,(H3,19,23,24,25,26,27)
InChIKeySCQIQQREQULPRE-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 58881777) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID58881777
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc4nccnc4c3)nc2n1
InChIInChI=1S/C18H16N8O/c1-2-19-18(27)26-15-6-5-13-17(24-15)25-16(10-22-13)23-11-3-4-12-14(9-11)21-8-7-20-12/h3-10H,2H2,1H3,(H3,19,23,24,25,26,27)
InChIKeySCQIQQREQULPRE-UHFFFAOYSA-N
XLogP2.85
TPSA117.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea with MolForge

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Related Compounds

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D-106669
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CID 71237443
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US10266549, Example 305
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea (CID 58881777) is 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(Nc3ccc4nccnc4c3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is SCQIQQREQULPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-2-19-18(27)26-15-6-5-13-17(24-15)25-16(10-22-13)23-11-3-4-12-14(9-11)21-8-7-20-12/h3-10H,2H2,1H3,(H3,19,23,24,25,26,27).
What are the key properties of 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 360.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 58881777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).