2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide

C22H24N4O3 — CID 122438624

IUPAC2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc2ccccc2n1
InChIInChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
InChIKeyGIWGNHDZELXXNP-IRXDYDNUSA-N
MW392.46 g/mol
LogP3.41
Rot. Bonds6

About 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide

2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide (PubChem CID 122438624) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
PubChem CID122438624
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc2ccccc2n1
InChIInChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
InChIKeyGIWGNHDZELXXNP-IRXDYDNUSA-N
XLogP3.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide (CID 122438624) is 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide is COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc2ccccc2n1.
What is the InChIKey of 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
The InChIKey is GIWGNHDZELXXNP-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1.
What are the key properties of 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(1S,2S)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide is sourced from PubChem (CID 122438624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).