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

C22H25N7O — CID 90268061

IUPAC7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4)C[C@H]3C)nc21
InChIInChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1
InChIKeyRQPQGMWYGNBUKK-OAHLLOKOSA-N
MW403.49 g/mol
LogP2.58
Rot. Bonds4

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

7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90268061) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90268061
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4)C[C@H]3C)nc21
InChIInChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1
InChIKeyRQPQGMWYGNBUKK-OAHLLOKOSA-N
XLogP2.58
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90268061) is 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4)C[C@H]3C)nc21.
What is the InChIKey of 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is RQPQGMWYGNBUKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1.
What are the key properties of 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 403.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90268061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).