2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen

C24H30N4O3 — CID 158576583

IUPAC2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
SMILESCCCCC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.[H][H]
InChIInChI=1S/C24H28N4O3.H2/c1-2-3-11-21(30)24(31)28-15-13-27(14-16-28)23-17-8-4-6-10-19(17)25-22(26-23)18-9-5-7-12-20(18)29;/h4-10,12,21,29-30H,2-3,11,13-16H2,1H3;1H
InChIKeyHSSSAHJIRJVISI-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.45
Rot. Bonds6

About 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen

2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen (PubChem CID 158576583) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen.

Molecular Properties

Compound Name2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
PubChem CID158576583
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
SMILESCCCCC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.[H][H]
InChIInChI=1S/C24H28N4O3.H2/c1-2-3-11-21(30)24(31)28-15-13-27(14-16-28)23-17-8-4-6-10-19(17)25-22(26-23)18-9-5-7-12-20(18)29;/h4-10,12,21,29-30H,2-3,11,13-16H2,1H3;1H
InChIKeyHSSSAHJIRJVISI-UHFFFAOYSA-N
XLogP3.45
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen?
The IUPAC name of 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen (CID 158576583) is 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen.
What is the SMILES notation for 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen?
The canonical SMILES for 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen is CCCCC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.[H][H].
What is the InChIKey of 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen?
The InChIKey is HSSSAHJIRJVISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.H2/c1-2-3-11-21(30)24(31)28-15-13-27(14-16-28)23-17-8-4-6-10-19(17)25-22(26-23)18-9-5-7-12-20(18)29;/h4-10,12,21,29-30H,2-3,11,13-16H2,1H3;1H.
What are the key properties of 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen?
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen has a molecular weight of 422.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen is sourced from PubChem (CID 158576583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).