4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C28H29N5O4 — CID 10278606

IUPAC4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc2c1
InChIInChI=1S/C28H29N5O4/c1-35-17-18-36-24-11-12-25-26(19-24)29-20-30-27(25)32-13-15-33(16-14-32)28(34)31-21-7-9-23(10-8-21)37-22-5-3-2-4-6-22/h2-12,19-20H,13-18H2,1H3,(H,31,34)
InChIKeyQMHCAQOWKYLXNZ-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.80
Rot. Bonds8

About 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 10278606) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID10278606
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc2c1
InChIInChI=1S/C28H29N5O4/c1-35-17-18-36-24-11-12-25-26(19-24)29-20-30-27(25)32-13-15-33(16-14-32)28(34)31-21-7-9-23(10-8-21)37-22-5-3-2-4-6-22/h2-12,19-20H,13-18H2,1H3,(H,31,34)
InChIKeyQMHCAQOWKYLXNZ-UHFFFAOYSA-N
XLogP4.80
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 10278606) is 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide is COCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc2c1.
What is the InChIKey of 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QMHCAQOWKYLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-35-17-18-36-24-11-12-25-26(19-24)29-20-30-27(25)32-13-15-33(16-14-32)28(34)31-21-7-9-23(10-8-21)37-22-5-3-2-4-6-22/h2-12,19-20H,13-18H2,1H3,(H,31,34).
What are the key properties of 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10278606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).