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

C23H27N7O2 — CID 122182838

IUPAC7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cc1
InChIInChI=1S/C23H27N7O2/c1-15-13-29(16-7-9-17(31-2)10-8-16)12-11-28(15)14-20-25-22-18-5-4-6-19(32-3)21(18)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1
InChIKeySAFUTBJYBAFUQI-OAHLLOKOSA-N
MW433.52 g/mol
LogP2.59
Rot. Bonds5

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

7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 122182838) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID122182838
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cc1
InChIInChI=1S/C23H27N7O2/c1-15-13-29(16-7-9-17(31-2)10-8-16)12-11-28(15)14-20-25-22-18-5-4-6-19(32-3)21(18)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1
InChIKeySAFUTBJYBAFUQI-OAHLLOKOSA-N
XLogP2.59
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 122182838) is 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cc1.
What is the InChIKey of 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is SAFUTBJYBAFUQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-13-29(16-7-9-17(31-2)10-8-16)12-11-28(15)14-20-25-22-18-5-4-6-19(32-3)21(18)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1.
What are the key properties of 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 433.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 122182838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).