6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline

C16H12ClN5O — CID 89461001

IUPAC6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline
SMILESCCc1[nH]c2nc(Oc3ccc4nccnc4c3)ncc2c1Cl
InChIInChI=1S/C16H12ClN5O/c1-2-11-14(17)10-8-20-16(22-15(10)21-11)23-9-3-4-12-13(7-9)19-6-5-18-12/h3-8H,2H2,1H3,(H,20,21,22)
InChIKeyQYFJZIFHIPZKFU-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.91
Rot. Bonds3

About 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline

6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline (PubChem CID 89461001) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline.

Molecular Properties

Compound Name6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline
PubChem CID89461001
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline
SMILESCCc1[nH]c2nc(Oc3ccc4nccnc4c3)ncc2c1Cl
InChIInChI=1S/C16H12ClN5O/c1-2-11-14(17)10-8-20-16(22-15(10)21-11)23-9-3-4-12-13(7-9)19-6-5-18-12/h3-8H,2H2,1H3,(H,20,21,22)
InChIKeyQYFJZIFHIPZKFU-UHFFFAOYSA-N
XLogP3.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline with MolForge

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Related Compounds

3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 71718200
5-[(5-bromo-6-ethyl-4-quinoxalin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]-2,3-dimethoxybenzonitrile
CID 89460618
5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 89460698
5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 89460767
5-chloro-6-ethyl-2-[(5-ethyl-3-pyridinyl)oxy]-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
CID 140893593
6-(2-chlorophenoxy)-N-ethylquinolin-4-amine
CID 63487129
7-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-4-amine
CID 126551097
3-[[4-[1,1-bis(hydroxyamino)ethyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]benzonitrile
CID 89460896
1-[1-[5-chloro-6-ethyl-2-(2-methylpyrimidin-5-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]-N,N-dimethylmethanamine
CID 126551249
3-quinoxalin-6-yloxypropan-1-amine
CID 82189749
4-quinoxalin-6-yloxyquinazoline
CID 133406622
5-[(5-chloro-6-ethyl-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]pyridine-3-carbonitrile
CID 126562613

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline?
The IUPAC name of 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline (CID 89461001) is 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline.
What is the SMILES notation for 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline?
The canonical SMILES for 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline is CCc1[nH]c2nc(Oc3ccc4nccnc4c3)ncc2c1Cl.
What is the InChIKey of 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline?
The InChIKey is QYFJZIFHIPZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-2-11-14(17)10-8-20-16(22-15(10)21-11)23-9-3-4-12-13(7-9)19-6-5-18-12/h3-8H,2H2,1H3,(H,20,21,22).
What are the key properties of 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline?
6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline has a molecular weight of 325.76 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline is sourced from PubChem (CID 89461001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).