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

C22H24N4O3 — CID 144829887

IUPAC2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCCC1Nc1cnc2ccccc2n1
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-/m1/s1
InChIKeyGIWGNHDZELXXNP-ZYMOGRSISA-N
MW392.46 g/mol
LogP3.41
Rot. Bonds6

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

2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide (PubChem CID 144829887) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
PubChem CID144829887
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCCC1Nc1cnc2ccccc2n1
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-/m1/s1
InChIKeyGIWGNHDZELXXNP-ZYMOGRSISA-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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Related Compounds

2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
CID 122438867
N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
CID 122438818
2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
CID 64818215
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide
CID 118326051
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
2,6-dimethoxy-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
CID 118024564
2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
CID 125464627
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide
CID 122438809

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide (CID 144829887) is 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide is COc1cccc(OC)c1C(=O)N[C@@H]1CCCC1Nc1cnc2ccccc2n1.
What is the InChIKey of 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
The InChIKey is GIWGNHDZELXXNP-ZYMOGRSISA-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-/m1/s1.
What are the key properties of 2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide?
2,6-dimethoxy-N-[(1R)-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-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide is sourced from PubChem (CID 144829887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).