4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C29H25N5O2 — CID 11465678

IUPAC4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4ccccc4cc23)CC1
InChIInChI=1S/C29H25N5O2/c35-29(32-23-10-12-25(13-11-23)36-24-8-2-1-3-9-24)34-16-14-33(15-17-34)28-26-18-21-6-4-5-7-22(21)19-27(26)30-20-31-28/h1-13,18-20H,14-17H2,(H,32,35)
InChIKeyWUMSDXSFFRGZLF-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.93
Rot. Bonds4

About 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11465678) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11465678
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4ccccc4cc23)CC1
InChIInChI=1S/C29H25N5O2/c35-29(32-23-10-12-25(13-11-23)36-24-8-2-1-3-9-24)34-16-14-33(15-17-34)28-26-18-21-6-4-5-7-22(21)19-27(26)30-20-31-28/h1-13,18-20H,14-17H2,(H,32,35)
InChIKeyWUMSDXSFFRGZLF-UHFFFAOYSA-N
XLogP5.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11465678) is 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4ccccc4cc23)CC1.
What is the InChIKey of 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WUMSDXSFFRGZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c35-29(32-23-10-12-25(13-11-23)36-24-8-2-1-3-9-24)34-16-14-33(15-17-34)28-26-18-21-6-4-5-7-22(21)19-27(26)30-20-31-28/h1-13,18-20H,14-17H2,(H,32,35).
What are the key properties of 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[g]quinazolin-4-yl-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).