4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine

C28H33N7O2 — CID 121406390

IUPAC4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCOc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12
InChIInChI=1S/C28H33N7O2/c1-36-24-11-6-9-21-26(24)27(30-18-29-21)34-12-5-4-10-23(34)22-17-25-31-20-8-3-2-7-19(20)28(35(25)32-22)33-13-15-37-16-14-33/h6,9,11,17-18,23H,2-5,7-8,10,12-16H2,1H3
InChIKeyAUVSDUKKTQXJCC-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.13
Rot. Bonds4

About 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine

4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (PubChem CID 121406390) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
PubChem CID121406390
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCOc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12
InChIInChI=1S/C28H33N7O2/c1-36-24-11-6-9-21-26(24)27(30-18-29-21)34-12-5-4-10-23(34)22-17-25-31-20-8-3-2-7-19(20)28(35(25)32-22)33-13-15-37-16-14-33/h6,9,11,17-18,23H,2-5,7-8,10,12-16H2,1H3
InChIKeyAUVSDUKKTQXJCC-UHFFFAOYSA-N
XLogP4.13
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The IUPAC name of 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (CID 121406390) is 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.
What is the SMILES notation for 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The canonical SMILES for 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is COc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12.
What is the InChIKey of 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The InChIKey is AUVSDUKKTQXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-36-24-11-6-9-21-26(24)27(30-18-29-21)34-12-5-4-10-23(34)22-17-25-31-20-8-3-2-7-19(20)28(35(25)32-22)33-13-15-37-16-14-33/h6,9,11,17-18,23H,2-5,7-8,10,12-16H2,1H3.
What are the key properties of 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine has a molecular weight of 499.62 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(5-methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is sourced from PubChem (CID 121406390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).