N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C22H18N4O2 — CID 108794769

IUPACN-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCc1ccco1
InChIInChI=1S/C22H18N4O2/c27-20(23-14-15-6-5-13-28-15)11-12-26-19-10-4-1-7-16(19)21-22(26)25-18-9-3-2-8-17(18)24-21/h1-10,13H,11-12,14H2,(H,23,27)
InChIKeyJMUGZKWJEBNZRE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.04
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108794769) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108794769
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCc1ccco1
InChIInChI=1S/C22H18N4O2/c27-20(23-14-15-6-5-13-28-15)11-12-26-19-10-4-1-7-16(19)21-22(26)25-18-9-3-2-8-17(18)24-21/h1-10,13H,11-12,14H2,(H,23,27)
InChIKeyJMUGZKWJEBNZRE-UHFFFAOYSA-N
XLogP4.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
CID 108726447
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
N-(furan-2-ylmethyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 2894276
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108794769) is N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is JMUGZKWJEBNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-20(23-14-15-6-5-13-28-15)11-12-26-19-10-4-1-7-16(19)21-22(26)25-18-9-3-2-8-17(18)24-21/h1-10,13H,11-12,14H2,(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 370.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108794769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).