(3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

C21H20N2O4 — CID 125151108

About (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

(3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (PubChem CID 125151108) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
• PubChem CID: 125151108
• Molecular Formula: C21H20N2O4
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.14
• IUPAC Name: (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
• SMILES: CN1C(=O)C[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c2ccccc21
• InChI: InChI=1S/C21H20N2O4/c1-22-17-9-5-4-8-15(17)16(11-19(22)24)20(25)23-12-14-7-3-2-6-13(14)10-18(23)21(26)27/h2-9,16,18H,10-12H2,1H3,(H,26,27)/t16-,18-/m1/s1
• InChIKey: HTEVZAJYZWJMPD-SJLPKXTDSA-N
• XLogP: 2.17
• TPSA: 77.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.40
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?

The IUPAC name of (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (CID 125151108) is (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

What is the SMILES notation for (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?

The canonical SMILES for (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is CN1C(=O)C[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c2ccccc21.

What is the InChIKey of (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?

The InChIKey is HTEVZAJYZWJMPD-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-22-17-9-5-4-8-15(17)16(11-19(22)24)20(25)23-12-14-7-3-2-6-13(14)10-18(23)21(26)27/h2-9,16,18H,10-12H2,1H3,(H,26,27)/t16-,18-/m1/s1.

What are the key properties of (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?

(3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is sourced from PubChem (CID 125151108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).