3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

C28H27N5O2 — CID 108730975

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27N5O2/c34-26(29-21-11-9-20(10-12-21)19-32-15-17-35-18-16-32)13-14-33-25-8-4-1-5-22(25)27-28(33)31-24-7-3-2-6-23(24)30-27/h1-12H,13-19H2,(H,29,34)
InChIKeyDVBJMFPOPWBERE-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.60
Rot. Bonds6

About 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 108730975) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID108730975
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27N5O2/c34-26(29-21-11-9-20(10-12-21)19-32-15-17-35-18-16-32)13-14-33-25-8-4-1-5-22(25)27-28(33)31-24-7-3-2-6-23(24)30-27/h1-12H,13-19H2,(H,29,34)
InChIKeyDVBJMFPOPWBERE-UHFFFAOYSA-N
XLogP4.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726768
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
2-amino-1-(2-morpholin-4-ylethyl)-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23855568
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794860

Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (CID 108730975) is 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is DVBJMFPOPWBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c34-26(29-21-11-9-20(10-12-21)19-32-15-17-35-18-16-32)13-14-33-25-8-4-1-5-22(25)27-28(33)31-24-7-3-2-6-23(24)30-27/h1-12H,13-19H2,(H,29,34).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 465.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 108730975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).