4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C26H23N5O4 — CID 11374800

IUPAC4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4c(cc23)OCO4)CC1
InChIInChI=1S/C26H23N5O4/c32-26(29-18-6-8-20(9-7-18)35-19-4-2-1-3-5-19)31-12-10-30(11-13-31)25-21-14-23-24(34-17-33-23)15-22(21)27-16-28-25/h1-9,14-16H,10-13,17H2,(H,29,32)
InChIKeyKNFLTOWBYQEOPM-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.50
Rot. Bonds4

About 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11374800) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11374800
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4c(cc23)OCO4)CC1
InChIInChI=1S/C26H23N5O4/c32-26(29-18-6-8-20(9-7-18)35-19-4-2-1-3-5-19)31-12-10-30(11-13-31)25-21-14-23-24(34-17-33-23)15-22(21)27-16-28-25/h1-9,14-16H,10-13,17H2,(H,29,32)
InChIKeyKNFLTOWBYQEOPM-UHFFFAOYSA-N
XLogP4.50
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11374800) is 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4c(cc23)OCO4)CC1.
What is the InChIKey of 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KNFLTOWBYQEOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c32-26(29-18-6-8-20(9-7-18)35-19-4-2-1-3-5-19)31-12-10-30(11-13-31)25-21-14-23-24(34-17-33-23)15-22(21)27-16-28-25/h1-9,14-16H,10-13,17H2,(H,29,32).
What are the key properties of 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11374800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).