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

C28H33N7O — CID 121406409

IUPAC4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12
InChIInChI=1S/C28H33N7O/c1-19-7-6-10-22-26(19)27(30-18-29-22)34-12-5-4-11-24(34)23-17-25-31-21-9-3-2-8-20(21)28(35(25)32-23)33-13-15-36-16-14-33/h6-7,10,17-18,24H,2-5,8-9,11-16H2,1H3
InChIKeyVEVRQPGVOXYHQL-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.43
Rot. Bonds3

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

4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (PubChem CID 121406409) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
PubChem CID121406409
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC Name4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12
InChIInChI=1S/C28H33N7O/c1-19-7-6-10-22-26(19)27(30-18-29-22)34-12-5-4-11-24(34)23-17-25-31-21-9-3-2-8-20(21)28(35(25)32-23)33-13-15-36-16-14-33/h6-7,10,17-18,24H,2-5,8-9,11-16H2,1H3
InChIKeyVEVRQPGVOXYHQL-UHFFFAOYSA-N
XLogP4.43
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(5-methylquinazolin-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-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (CID 121406409) is 4-[2-[1-(5-methylquinazolin-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-methylquinazolin-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-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12.
What is the InChIKey of 4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The InChIKey is VEVRQPGVOXYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-19-7-6-10-22-26(19)27(30-18-29-22)34-12-5-4-11-24(34)23-17-25-31-21-9-3-2-8-20(21)28(35(25)32-23)33-13-15-36-16-14-33/h6-7,10,17-18,24H,2-5,8-9,11-16H2,1H3.
What are the key properties of 4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine has a molecular weight of 483.62 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is sourced from PubChem (CID 121406409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).