2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide

C45H52N8O3 — CID 161090945

About 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide

2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide (PubChem CID 161090945) has the molecular formula C45H52N8O3 and a molecular weight of 752.96 g/mol. Its IUPAC name is 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
• PubChem CID: 161090945
• Molecular Formula: C45H52N8O3
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.42
• IUPAC Name: 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
• SMILES: Cc1ccc2c(N3CCC(N)CC3)nc(-c3ccccc3O)nc2c1.Cc1ccc2c(N3CCC(NC(=O)CC(C)C)CC3)nc(-c3ccccc3O)nc2c1
• InChI: InChI=1S/C25H30N4O2.C20H22N4O/c1-16(2)14-23(31)26-18-10-12-29(13-11-18)25-19-9-8-17(3)15-21(19)27-24(28-25)20-6-4-5-7-22(20)30;1-13-6-7-15-17(12-13)22-19(16-4-2-3-5-18(16)25)23-20(15)24-10-8-14(21)9-11-24/h4-9,15-16,18,30H,10-14H2,1-3H3,(H,26,31);2-7,12,14,25H,8-11,21H2,1H3
• InChIKey: UHDYXDUGTUBHRL-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 153.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide?

The IUPAC name of 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide (CID 161090945) is 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide.

What is the SMILES notation for 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide?

The canonical SMILES for 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide is Cc1ccc2c(N3CCC(N)CC3)nc(-c3ccccc3O)nc2c1.Cc1ccc2c(N3CCC(NC(=O)CC(C)C)CC3)nc(-c3ccccc3O)nc2c1.

What is the InChIKey of 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide?

The InChIKey is UHDYXDUGTUBHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C20H22N4O/c1-16(2)14-23(31)26-18-10-12-29(13-11-18)25-19-9-8-17(3)15-21(19)27-24(28-25)20-6-4-5-7-22(20)30;1-13-6-7-15-17(12-13)22-19(16-4-2-3-5-18(16)25)23-20(15)24-10-8-14(21)9-11-24/h4-9,15-16,18,30H,10-14H2,1-3H3,(H,26,31);2-7,12,14,25H,8-11,21H2,1H3.

What are the key properties of 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide?

2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide has a molecular weight of 752.96 g/mol, XLogP of 7.68, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 161090945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).