7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H22N8O — CID 90268021

IUPAC7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccn4)CC3)nc21
InChIInChI=1S/C20H22N8O/c1-29-15-6-4-5-14-18(15)24-20(21)28-19(14)23-16(25-28)13-26-9-11-27(12-10-26)17-7-2-3-8-22-17/h2-8H,9-13H2,1H3,(H2,21,24)
InChIKeyRXBPVHPNPPLPGA-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.59
Rot. Bonds4

About 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90268021) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90268021
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccn4)CC3)nc21
InChIInChI=1S/C20H22N8O/c1-29-15-6-4-5-14-18(15)24-20(21)28-19(14)23-16(25-28)13-26-9-11-27(12-10-26)17-7-2-3-8-22-17/h2-8H,9-13H2,1H3,(H2,21,24)
InChIKeyRXBPVHPNPPLPGA-UHFFFAOYSA-N
XLogP1.59
TPSA97.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90268021) is 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccn4)CC3)nc21.
What is the InChIKey of 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is RXBPVHPNPPLPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-29-15-6-4-5-14-18(15)24-20(21)28-19(14)23-16(25-28)13-26-9-11-27(12-10-26)17-7-2-3-8-22-17/h2-8H,9-13H2,1H3,(H2,21,24).
What are the key properties of 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 390.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90268021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).