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

C27H32N8O4 — CID 10907564

IUPAC4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCn1nccn1
InChIInChI=1S/C27H32N8O4/c1-19(2)39-21-6-4-20(5-7-21)32-27(36)34-12-10-33(11-13-34)26-22-16-24(37-3)25(17-23(22)28-18-29-26)38-15-14-35-30-8-9-31-35/h4-9,16-19H,10-15H2,1-3H3,(H,32,36)
InChIKeyARAMFRZTCCWJOB-UHFFFAOYSA-N
MW532.61 g/mol
LogP3.45
Rot. Bonds9

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

4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 10907564) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID10907564
Molecular FormulaC27H32N8O4
Molecular Weight532.61 g/mol
Exact Mass532.25
IUPAC Name4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCn1nccn1
InChIInChI=1S/C27H32N8O4/c1-19(2)39-21-6-4-20(5-7-21)32-27(36)34-12-10-33(11-13-34)26-22-16-24(37-3)25(17-23(22)28-18-29-26)38-15-14-35-30-8-9-31-35/h4-9,16-19H,10-15H2,1-3H3,(H,32,36)
InChIKeyARAMFRZTCCWJOB-UHFFFAOYSA-N
XLogP3.45
TPSA119.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 10907564) is 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCn1nccn1.
What is the InChIKey of 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is ARAMFRZTCCWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O4/c1-19(2)39-21-6-4-20(5-7-21)32-27(36)34-12-10-33(11-13-34)26-22-16-24(37-3)25(17-23(22)28-18-29-26)38-15-14-35-30-8-9-31-35/h4-9,16-19H,10-15H2,1-3H3,(H,32,36).
What are the key properties of 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 532.61 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-7-[2-(triazol-2-yl)ethoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10907564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).