4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C28H34N8O4 — CID 11827714

IUPAC4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCn1ccnn1
InChIInChI=1S/C28H34N8O4/c1-20(2)40-22-7-5-21(6-8-22)32-28(37)35-14-12-34(13-15-35)27-23-17-25(38-3)26(18-24(23)29-19-30-27)39-16-4-10-36-11-9-31-33-36/h5-9,11,17-20H,4,10,12-16H2,1-3H3,(H,32,37)
InChIKeyRJOPPCRDNXPHEL-UHFFFAOYSA-N
MW546.63 g/mol
LogP3.84
Rot. Bonds10

About 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 11827714) has the molecular formula C28H34N8O4 and a molecular weight of 546.63 g/mol. Its IUPAC name is 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID11827714
Molecular FormulaC28H34N8O4
Molecular Weight546.63 g/mol
Exact Mass546.27
IUPAC Name4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCn1ccnn1
InChIInChI=1S/C28H34N8O4/c1-20(2)40-22-7-5-21(6-8-22)32-28(37)35-14-12-34(13-15-35)27-23-17-25(38-3)26(18-24(23)29-19-30-27)39-16-4-10-36-11-9-31-33-36/h5-9,11,17-20H,4,10,12-16H2,1-3H3,(H,32,37)
InChIKeyRJOPPCRDNXPHEL-UHFFFAOYSA-N
XLogP3.84
TPSA119.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.63
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)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-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 11827714) is 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCn1ccnn1.
What is the InChIKey of 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is RJOPPCRDNXPHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O4/c1-20(2)40-22-7-5-21(6-8-22)32-28(37)35-14-12-34(13-15-35)27-23-17-25(38-3)26(18-24(23)29-19-30-27)39-16-4-10-36-11-9-31-33-36/h5-9,11,17-20H,4,10,12-16H2,1-3H3,(H,32,37).
What are the key properties of 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 546.63 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11827714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).