4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C25H22FN5O2 — CID 22707603

IUPAC4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H22FN5O2/c26-18-6-11-23-22(16-18)24(28-17-27-23)30-12-14-31(15-13-30)25(32)29-19-7-9-21(10-8-19)33-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,29,32)
InChIKeyQSDJSMXNMTWOCH-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.92
Rot. Bonds4

About 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 22707603) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID22707603
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H22FN5O2/c26-18-6-11-23-22(16-18)24(28-17-27-23)30-12-14-31(15-13-30)25(32)29-19-7-9-21(10-8-19)33-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,29,32)
InChIKeyQSDJSMXNMTWOCH-UHFFFAOYSA-N
XLogP4.92
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 22707603) is 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QSDJSMXNMTWOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-18-6-11-23-22(16-18)24(28-17-27-23)30-12-14-31(15-13-30)25(32)29-19-7-9-21(10-8-19)33-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,29,32).
What are the key properties of 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 22707603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).