N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C19H19N3O3 — CID 99930525

About N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 99930525) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
• PubChem CID: 99930525
• Molecular Formula: C19H19N3O3
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.14
• IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
• SMILES: O=C1CNc2ccc(C(=O)NC[C@H]3OCCc4ccccc43)cc2N1
• InChI: InChI=1S/C19H19N3O3/c23-18-11-20-15-6-5-13(9-16(15)22-18)19(24)21-10-17-14-4-2-1-3-12(14)7-8-25-17/h1-6,9,17,20H,7-8,10-11H2,(H,21,24)(H,22,23)/t17-/m1/s1
• InChIKey: CVJJZXKTFNQCJE-QGZVFWFLSA-N
• XLogP: 2.09
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 99930525) is N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

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

The canonical SMILES for N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is O=C1CNc2ccc(C(=O)NC[C@H]3OCCc4ccccc43)cc2N1.

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

The InChIKey is CVJJZXKTFNQCJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18-11-20-15-6-5-13(9-16(15)22-18)19(24)21-10-17-14-4-2-1-3-12(14)7-8-25-17/h1-6,9,17,20H,7-8,10-11H2,(H,21,24)(H,22,23)/t17-/m1/s1.

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

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 99930525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).