tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C28H34N6O3 — CID 163272344

About tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 163272344) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 163272344
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: COc1nc2c(cc1Nc1ncc3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3n1)CN(C)CC2
• InChI: InChI=1S/C28H34N6O3/c1-28(2,3)37-27(35)34-13-9-18(10-14-34)21-8-6-7-19-16-29-26(32-24(19)21)31-23-15-20-17-33(4)12-11-22(20)30-25(23)36-5/h6-9,15-16H,10-14,17H2,1-5H3,(H,29,31,32)
• InChIKey: DMILAFQZLYDIDI-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 163272344) is tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COc1nc2c(cc1Nc1ncc3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3n1)CN(C)CC2.

What is the InChIKey of tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is DMILAFQZLYDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-28(2,3)37-27(35)34-13-9-18(10-14-34)21-8-6-7-19-16-29-26(32-24(19)21)31-23-15-20-17-33(4)12-11-22(20)30-25(23)36-5/h6-9,15-16H,10-14,17H2,1-5H3,(H,29,31,32).

What are the key properties of tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 502.62 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 163272344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).