7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H27N7O2 — CID 122182837

IUPAC7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)c1
InChIInChI=1S/C23H27N7O2/c1-15-13-29(16-6-4-7-17(12-16)31-2)11-10-28(15)14-20-25-22-18-8-5-9-19(32-3)21(18)26-23(24)30(22)27-20/h4-9,12,15H,10-11,13-14H2,1-3H3,(H2,24,26)/t15-/m1/s1
InChIKeyVHWVPUSSAQURNZ-OAHLLOKOSA-N
MW433.52 g/mol
LogP2.59
Rot. Bonds5

About 7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 122182837) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID122182837
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)c1
InChIInChI=1S/C23H27N7O2/c1-15-13-29(16-6-4-7-17(12-16)31-2)11-10-28(15)14-20-25-22-18-8-5-9-19(32-3)21(18)26-23(24)30(22)27-20/h4-9,12,15H,10-11,13-14H2,1-3H3,(H2,24,26)/t15-/m1/s1
InChIKeyVHWVPUSSAQURNZ-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

Analyze 7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

2-[[(2R)-4-(3-fluorophenyl)-2-methylpiperazin-1-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 122182830
7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285900
7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268021
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76900756
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
CID 162684779
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901136
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651
2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90267819
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-yloxy thiohypoiodite
CID 144662413

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[[(2R)-4-(3-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-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 122182837) is 7-methoxy-2-[[(2R)-4-(3-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-(3-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-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)c1.
What is the InChIKey of 7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is VHWVPUSSAQURNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-13-29(16-6-4-7-17(12-16)31-2)11-10-28(15)14-20-25-22-18-8-5-9-19(32-3)21(18)26-23(24)30(22)27-20/h4-9,12,15H,10-11,13-14H2,1-3H3,(H2,24,26)/t15-/m1/s1.
What are the key properties of 7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[[(2R)-4-(3-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-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 122182837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).