N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide

C25H23N5O2 — CID 11396174

IUPACN-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C25H23N5O2/c31-25(28-19-10-12-21(13-11-19)32-20-6-2-1-3-7-20)30-16-14-29(15-17-30)24-22-8-4-5-9-23(22)26-18-27-24/h1-13,18H,14-17H2,(H,28,31)
InChIKeyOCYUAKZKASVRCA-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.78
Rot. Bonds4

About N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide

N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide (PubChem CID 11396174) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide
PubChem CID11396174
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C25H23N5O2/c31-25(28-19-10-12-21(13-11-19)32-20-6-2-1-3-7-20)30-16-14-29(15-17-30)24-22-8-4-5-9-23(22)26-18-27-24/h1-13,18H,14-17H2,(H,28,31)
InChIKeyOCYUAKZKASVRCA-UHFFFAOYSA-N
XLogP4.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide (CID 11396174) is N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide?
The InChIKey is OCYUAKZKASVRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(28-19-10-12-21(13-11-19)32-20-6-2-1-3-7-20)30-16-14-29(15-17-30)24-22-8-4-5-9-23(22)26-18-27-24/h1-13,18H,14-17H2,(H,28,31).
What are the key properties of N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide?
N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 11396174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).