7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C21H29N7O2 — CID 137359945

IUPAC7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCN(CCN4CCOCC4)C3)nc21
InChIInChI=1S/C21H29N7O2/c1-29-17-6-2-5-16-18(17)23-21(22)28-20(16)24-19(25-28)15-4-3-7-27(14-15)9-8-26-10-12-30-13-11-26/h2,5-6,15H,3-4,7-14H2,1H3,(H2,22,23)
InChIKeyNRNOCYPDVHHMKD-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.38
Rot. Bonds5

About 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 137359945) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID137359945
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCN(CCN4CCOCC4)C3)nc21
InChIInChI=1S/C21H29N7O2/c1-29-17-6-2-5-16-18(17)23-21(22)28-20(16)24-19(25-28)15-4-3-7-27(14-15)9-8-26-10-12-30-13-11-26/h2,5-6,15H,3-4,7-14H2,1H3,(H2,22,23)
InChIKeyNRNOCYPDVHHMKD-UHFFFAOYSA-N
XLogP1.38
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
2-[(3R)-1-(2-cyclopropyl-3,3,3-trifluoropropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155257574
2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511061
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359117
2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359135
7-methoxy-2-[(3R)-1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597571
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572
7-methoxy-2-[(3R)-1-[1-(2-methoxycyclopentyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359269
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
CID 167359059

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 137359945) is 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CCCN(CCN4CCOCC4)C3)nc21.
What is the InChIKey of 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is NRNOCYPDVHHMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-29-17-6-2-5-16-18(17)23-21(22)28-20(16)24-19(25-28)15-4-3-7-27(14-15)9-8-26-10-12-30-13-11-26/h2,5-6,15H,3-4,7-14H2,1H3,(H2,22,23).
What are the key properties of 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 411.51 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 137359945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).