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

C26H25N5O3 — CID 22707466

IUPAC4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C26H25N5O3/c1-33-22-11-12-24-23(17-22)25(28-18-27-24)30-13-15-31(16-14-30)26(32)29-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3,(H,29,32)
InChIKeyUIDWNLVWSCQDES-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.78
Rot. Bonds5

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

4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 22707466) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID22707466
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C26H25N5O3/c1-33-22-11-12-24-23(17-22)25(28-18-27-24)30-13-15-31(16-14-30)26(32)29-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3,(H,29,32)
InChIKeyUIDWNLVWSCQDES-UHFFFAOYSA-N
XLogP4.78
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 22707466) is 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is COc1ccc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1.
What is the InChIKey of 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UIDWNLVWSCQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-33-22-11-12-24-23(17-22)25(28-18-27-24)30-13-15-31(16-14-30)26(32)29-19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3,(H,29,32).
What are the key properties of 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 22707466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).