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

C26H24N4O2 — CID 11177747

IUPACN-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C26H24N4O2/c31-26(28-20-10-12-22(13-11-20)32-21-6-2-1-3-7-21)30-18-16-29(17-19-30)25-14-15-27-24-9-5-4-8-23(24)25/h1-15H,16-19H2,(H,28,31)
InChIKeyHWJSFABKQRDLLN-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.38
Rot. Bonds4

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

N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide (PubChem CID 11177747) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide
PubChem CID11177747
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C26H24N4O2/c31-26(28-20-10-12-22(13-11-20)32-21-6-2-1-3-7-21)30-18-16-29(17-19-30)25-14-15-27-24-9-5-4-8-23(24)25/h1-15H,16-19H2,(H,28,31)
InChIKeyHWJSFABKQRDLLN-UHFFFAOYSA-N
XLogP5.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide (CID 11177747) is N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide?
The InChIKey is HWJSFABKQRDLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(28-20-10-12-22(13-11-20)32-21-6-2-1-3-7-21)30-18-16-29(17-19-30)25-14-15-27-24-9-5-4-8-23(24)25/h1-15H,16-19H2,(H,28,31).
What are the key properties of N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide?
N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-quinolin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 11177747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).