2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide

C24H28N4O3 — CID 136644940

IUPAC2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide
SMILESCc1ccc2c(N3CCCCC3NC(=O)C(C)(C)O)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C24H28N4O3/c1-15-11-12-16-18(14-15)25-21(17-8-4-5-9-19(17)29)27-22(16)28-13-7-6-10-20(28)26-23(30)24(2,3)31/h4-5,8-9,11-12,14,20,29,31H,6-7,10,13H2,1-3H3,(H,26,30)
InChIKeyPRQOQGXRZUEFSE-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.51
Rot. Bonds4

About 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide

2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide (PubChem CID 136644940) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide
PubChem CID136644940
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide
SMILESCc1ccc2c(N3CCCCC3NC(=O)C(C)(C)O)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C24H28N4O3/c1-15-11-12-16-18(14-15)25-21(17-8-4-5-9-19(17)29)27-22(16)28-13-7-6-10-20(28)26-23(30)24(2,3)31/h4-5,8-9,11-12,14,20,29,31H,6-7,10,13H2,1-3H3,(H,26,30)
InChIKeyPRQOQGXRZUEFSE-UHFFFAOYSA-N
XLogP3.51
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide (CID 136644940) is 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide is Cc1ccc2c(N3CCCCC3NC(=O)C(C)(C)O)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide?
The InChIKey is PRQOQGXRZUEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-11-12-16-18(14-15)25-21(17-8-4-5-9-19(17)29)27-22(16)28-13-7-6-10-20(28)26-23(30)24(2,3)31/h4-5,8-9,11-12,14,20,29,31H,6-7,10,13H2,1-3H3,(H,26,30).
What are the key properties of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide?
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide has a molecular weight of 420.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 136644940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).