tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C30H34FN5O5 — CID 177364735

About tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 177364735) has the molecular formula C30H34FN5O5 and a molecular weight of 563.63 g/mol. Its IUPAC name is tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
• PubChem CID: 177364735
• Molecular Formula: C30H34FN5O5
• Molecular Weight: 563.63 g/mol
• Exact Mass: 563.25
• IUPAC Name: tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
• SMILES: COC(=O)Cc1ccc(Nc2ccc3c(n2)CN(c2cnc4c(c2C)N(C(=O)OC(C)(C)C)CCO4)CC3)cc1F
• InChI: InChI=1S/C30H34FN5O5/c1-18-24(16-32-28-27(18)36(12-13-40-28)29(38)41-30(2,3)4)35-11-10-19-7-9-25(34-23(19)17-35)33-21-8-6-20(22(31)15-21)14-26(37)39-5/h6-9,15-16H,10-14,17H2,1-5H3,(H,33,34)
• InChIKey: ZEPZHAVDIXZUDN-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 106.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.63
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

The IUPAC name of tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 177364735) is tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

What is the SMILES notation for tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

The canonical SMILES for tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is COC(=O)Cc1ccc(Nc2ccc3c(n2)CN(c2cnc4c(c2C)N(C(=O)OC(C)(C)C)CCO4)CC3)cc1F.

What is the InChIKey of tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

The InChIKey is ZEPZHAVDIXZUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O5/c1-18-24(16-32-28-27(18)36(12-13-40-28)29(38)41-30(2,3)4)35-11-10-19-7-9-25(34-23(19)17-35)33-21-8-6-20(22(31)15-21)14-26(37)39-5/h6-9,15-16H,10-14,17H2,1-5H3,(H,33,34).

What are the key properties of tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 563.63 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)anilino]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 177364735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).