(3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

C46H48F2N10O8 — CID 158959566

About (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

(3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (PubChem CID 158959566) has the molecular formula C46H48F2N10O8 and a molecular weight of 906.95 g/mol. Its IUPAC name is (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

Molecular Properties

• Compound Name: (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
• PubChem CID: 158959566
• Molecular Formula: C46H48F2N10O8
• Molecular Weight: 906.95 g/mol
• Exact Mass: 906.36
• IUPAC Name: (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3cc(NC(=O)OC4(C)CC(O)C4)ncc3c(N)c2F)cnc2c1NCCO2.Cc1c(-c2cc3cc(NC(=O)OC4CC(C)(O)C4)ncc3c(N)c2F)cnc2c1NCCO2
• InChI: InChI=1S/2C23H24FN5O4/c1-11-15(9-28-21-20(11)26-3-4-32-21)14-5-12-6-17(27-10-16(12)19(25)18(14)24)29-22(30)33-13-7-23(2,31)8-13;1-11-15(9-28-21-20(11)26-3-4-32-21)14-5-12-6-17(27-10-16(12)19(25)18(14)24)29-22(31)33-23(2)7-13(30)8-23/h5-6,9-10,13,26,31H,3-4,7-8,25H2,1-2H3,(H,27,29,30);5-6,9-10,13,26,30H,3-4,7-8,25H2,1-2H3,(H,27,29,31)
• InChIKey: JMLDZUBOWYORIL-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 263.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	906.95
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The IUPAC name of (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (CID 158959566) is (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

What is the SMILES notation for (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The canonical SMILES for (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4(C)CC(O)C4)ncc3c(N)c2F)cnc2c1NCCO2.Cc1c(-c2cc3cc(NC(=O)OC4CC(C)(O)C4)ncc3c(N)c2F)cnc2c1NCCO2.

What is the InChIKey of (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The InChIKey is JMLDZUBOWYORIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24FN5O4/c1-11-15(9-28-21-20(11)26-3-4-32-21)14-5-12-6-17(27-10-16(12)19(25)18(14)24)29-22(30)33-13-7-23(2,31)8-13;1-11-15(9-28-21-20(11)26-3-4-32-21)14-5-12-6-17(27-10-16(12)19(25)18(14)24)29-22(31)33-23(2)7-13(30)8-23/h5-6,9-10,13,26,31H,3-4,7-8,25H2,1-2H3,(H,27,29,30);5-6,9-10,13,26,30H,3-4,7-8,25H2,1-2H3,(H,27,29,31).

What are the key properties of (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

(3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate has a molecular weight of 906.95 g/mol, XLogP of 7.19, 6 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-1-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate;(3-hydroxy-3-methylcyclobutyl) N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is sourced from PubChem (CID 158959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).