butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H24N4O2 — CID 4233482

IUPACbutan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCc1cccc(-n2c(N)c(C(=O)OC(C)CC)c3nc4ccccc4nc32)c1
InChIInChI=1S/C23H24N4O2/c1-4-14(3)29-23(28)19-20-22(26-18-12-7-6-11-17(18)25-20)27(21(19)24)16-10-8-9-15(5-2)13-16/h6-14H,4-5,24H2,1-3H3
InChIKeyAVWOSUVSYUEFDM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.67
Rot. Bonds5

About butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 4233482) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID4233482
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Namebutan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCc1cccc(-n2c(N)c(C(=O)OC(C)CC)c3nc4ccccc4nc32)c1
InChIInChI=1S/C23H24N4O2/c1-4-14(3)29-23(28)19-20-22(26-18-12-7-6-11-17(18)25-20)27(21(19)24)16-10-8-9-15(5-2)13-16/h6-14H,4-5,24H2,1-3H3
InChIKeyAVWOSUVSYUEFDM-UHFFFAOYSA-N
XLogP4.67
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 4233482) is butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCc1cccc(-n2c(N)c(C(=O)OC(C)CC)c3nc4ccccc4nc32)c1.
What is the InChIKey of butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is AVWOSUVSYUEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-14(3)29-23(28)19-20-22(26-18-12-7-6-11-17(18)25-20)27(21(19)24)16-10-8-9-15(5-2)13-16/h6-14H,4-5,24H2,1-3H3.
What are the key properties of butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 4233482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).