7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

C30H33FN6O7 — CID 146463676

About 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (PubChem CID 146463676) has the molecular formula C30H33FN6O7 and a molecular weight of 608.63 g/mol. Its IUPAC name is 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
• PubChem CID: 146463676
• Molecular Formula: C30H33FN6O7
• Molecular Weight: 608.63 g/mol
• Exact Mass: 608.24
• IUPAC Name: 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
• SMILES: Cc1c(-c2cc3cc(NC(=O)OC4CC(=O)N(C)C4)ncc3c(NC(=O)OC(C)(C)C)c2F)cnc2c1N(C(=O)O)CCC2
• InChI: InChI=1S/C30H33FN6O7/c1-15-19(12-32-21-7-6-8-37(26(15)21)29(41)42)18-9-16-10-22(34-27(39)43-17-11-23(38)36(5)14-17)33-13-20(16)25(24(18)31)35-28(40)44-30(2,3)4/h9-10,12-13,17H,6-8,11,14H2,1-5H3,(H,35,40)(H,41,42)(H,33,34,39)
• InChIKey: JNKKIVRIPSFYTJ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 163.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.63
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

The IUPAC name of 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (CID 146463676) is 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

What is the SMILES notation for 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

The canonical SMILES for 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is Cc1c(-c2cc3cc(NC(=O)OC4CC(=O)N(C)C4)ncc3c(NC(=O)OC(C)(C)C)c2F)cnc2c1N(C(=O)O)CCC2.

What is the InChIKey of 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

The InChIKey is JNKKIVRIPSFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O7/c1-15-19(12-32-21-7-6-8-37(26(15)21)29(41)42)18-9-16-10-22(34-27(39)43-17-11-23(38)36(5)14-17)33-13-20(16)25(24(18)31)35-28(40)44-30(2,3)4/h9-10,12-13,17H,6-8,11,14H2,1-5H3,(H,35,40)(H,41,42)(H,33,34,39).

What are the key properties of 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?

7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid has a molecular weight of 608.63 g/mol, XLogP of 5.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-fluoro-3-[(1-methyl-5-oxopyrrolidin-3-yl)oxycarbonylamino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 146463676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).