N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C20H21N3O4 — CID 97208878

About N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 97208878) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
• PubChem CID: 97208878
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
• SMILES: COc1cccc2c1OC[C@@H](CNC(=O)c1ccc3c(c1)NC(=O)CN3)C2
• InChI: InChI=1S/C20H21N3O4/c1-26-17-4-2-3-13-7-12(11-27-19(13)17)9-22-20(25)14-5-6-15-16(8-14)23-18(24)10-21-15/h2-6,8,12,21H,7,9-11H2,1H3,(H,22,25)(H,23,24)/t12-/m1/s1
• InChIKey: CRFFJHZAWMJJAT-GFCCVEGCSA-N
• XLogP: 2.04
• TPSA: 88.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?

The IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 97208878) is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

What is the SMILES notation for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?

The canonical SMILES for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is COc1cccc2c1OC[C@@H](CNC(=O)c1ccc3c(c1)NC(=O)CN3)C2.

What is the InChIKey of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?

The InChIKey is CRFFJHZAWMJJAT-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-17-4-2-3-13-7-12(11-27-19(13)17)9-22-20(25)14-5-6-15-16(8-14)23-18(24)10-21-15/h2-6,8,12,21H,7,9-11H2,1H3,(H,22,25)(H,23,24)/t12-/m1/s1.

What are the key properties of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 97208878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).