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

C30H37N7O — CID 121406410

IUPAC4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCCc1ccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c2c1C
InChIInChI=1S/C30H37N7O/c1-3-21-11-12-24-28(20(21)2)29(32-19-31-24)36-13-7-6-10-26(36)25-18-27-33-23-9-5-4-8-22(23)30(37(27)34-25)35-14-16-38-17-15-35/h11-12,18-19,26H,3-10,13-17H2,1-2H3
InChIKeyIBZZWCGPXIRVQL-UHFFFAOYSA-N
MW511.67 g/mol
LogP4.99
Rot. Bonds4

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

4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (PubChem CID 121406410) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is 4-[2-[1-(6-ethyl-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-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
PubChem CID121406410
Molecular FormulaC30H37N7O
Molecular Weight511.67 g/mol
Exact Mass511.31
IUPAC Name4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCCc1ccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c2c1C
InChIInChI=1S/C30H37N7O/c1-3-21-11-12-24-28(20(21)2)29(32-19-31-24)36-13-7-6-10-26(36)25-18-27-33-23-9-5-4-8-22(23)30(37(27)34-25)35-14-16-38-17-15-35/h11-12,18-19,26H,3-10,13-17H2,1-2H3
InChIKeyIBZZWCGPXIRVQL-UHFFFAOYSA-N
XLogP4.99
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(6-ethyl-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-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (CID 121406410) is 4-[2-[1-(6-ethyl-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-(6-ethyl-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-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is CCc1ccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c2c1C.
What is the InChIKey of 4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The InChIKey is IBZZWCGPXIRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-3-21-11-12-24-28(20(21)2)29(32-19-31-24)36-13-7-6-10-26(36)25-18-27-33-23-9-5-4-8-22(23)30(37(27)34-25)35-14-16-38-17-15-35/h11-12,18-19,26H,3-10,13-17H2,1-2H3.
What are the key properties of 4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine has a molecular weight of 511.67 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is sourced from PubChem (CID 121406410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).