2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C21H24N6O — CID 57401130

IUPAC2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESNc1nc2ccccc2nc1NCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C21H24N6O/c22-20-21(26-18-6-2-1-5-17(18)25-20)23-13-19(28)24-16-9-7-15(8-10-16)14-27-11-3-4-12-27/h1-2,5-10H,3-4,11-14H2,(H2,22,25)(H,23,26)(H,24,28)
InChIKeyDAMWQHITIPFXAO-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds6

About 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 57401130) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID57401130
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESNc1nc2ccccc2nc1NCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C21H24N6O/c22-20-21(26-18-6-2-1-5-17(18)25-20)23-13-19(28)24-16-9-7-15(8-10-16)14-27-11-3-4-12-27/h1-2,5-10H,3-4,11-14H2,(H2,22,25)(H,23,26)(H,24,28)
InChIKeyDAMWQHITIPFXAO-UHFFFAOYSA-N
XLogP2.86
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 57395916
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
2-naphthalen-1-yloxy-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 3312862
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 57401130) is 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is Nc1nc2ccccc2nc1NCC(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is DAMWQHITIPFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c22-20-21(26-18-6-2-1-5-17(18)25-20)23-13-19(28)24-16-9-7-15(8-10-16)14-27-11-3-4-12-27/h1-2,5-10H,3-4,11-14H2,(H2,22,25)(H,23,26)(H,24,28).
What are the key properties of 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 57401130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).