2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate

C40H41F2N7O4 — CID 159697266

About 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate

2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate (PubChem CID 159697266) has the molecular formula C40H41F2N7O4 and a molecular weight of 721.81 g/mol. Its IUPAC name is 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
• PubChem CID: 159697266
• Molecular Formula: C40H41F2N7O4
• Molecular Weight: 721.81 g/mol
• Exact Mass: 721.32
• IUPAC Name: 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
• SMILES: Cc1ccc2c(N)nc(-c3c(O)cccc3F)nc2c1.Cc1ccc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nc(-c3c(O)cccc3F)nc2c1
• InChI: InChI=1S/C25H29FN4O3.C15H12FN3O/c1-15-8-9-17-19(14-15)28-22(21-18(26)6-5-7-20(21)31)29-23(17)30-12-10-16(11-13-30)27-24(32)33-25(2,3)4;1-8-5-6-9-11(7-8)18-15(19-14(9)17)13-10(16)3-2-4-12(13)20/h5-9,14,16,31H,10-13H2,1-4H3,(H,27,32);2-7,20H,1H3,(H2,17,18,19)
• InChIKey: MXEBLHQRKNOSFD-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 159.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.81
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?

The IUPAC name of 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate (CID 159697266) is 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate.

What is the SMILES notation for 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?

The canonical SMILES for 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate is Cc1ccc2c(N)nc(-c3c(O)cccc3F)nc2c1.Cc1ccc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nc(-c3c(O)cccc3F)nc2c1.

What is the InChIKey of 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?

The InChIKey is MXEBLHQRKNOSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3.C15H12FN3O/c1-15-8-9-17-19(14-15)28-22(21-18(26)6-5-7-20(21)31)29-23(17)30-12-10-16(11-13-30)27-24(32)33-25(2,3)4;1-8-5-6-9-11(7-8)18-15(19-14(9)17)13-10(16)3-2-4-12(13)20/h5-9,14,16,31H,10-13H2,1-4H3,(H,27,32);2-7,20H,1H3,(H2,17,18,19).

What are the key properties of 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?

2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 721.81 g/mol, XLogP of 7.98, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-7-methylquinazolin-2-yl)-3-fluorophenol;tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 159697266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).