4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine

C27H31N7O — CID 121406406

IUPAC4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCC5)c12
InChIInChI=1S/C27H31N7O/c1-18-6-4-9-21-25(18)26(29-17-28-21)33-11-3-2-10-23(33)22-16-24-30-20-8-5-7-19(20)27(34(24)31-22)32-12-14-35-15-13-32/h4,6,9,16-17,23H,2-3,5,7-8,10-15H2,1H3
InChIKeyFYNYTJSMCOEMGU-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.04
Rot. Bonds3

About 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine

4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine (PubChem CID 121406406) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine.

Molecular Properties

Compound Name4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine
PubChem CID121406406
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Name4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCC5)c12
InChIInChI=1S/C27H31N7O/c1-18-6-4-9-21-25(18)26(29-17-28-21)33-11-3-2-10-23(33)22-16-24-30-20-8-5-7-19(20)27(34(24)31-22)32-12-14-35-15-13-32/h4,6,9,16-17,23H,2-3,5,7-8,10-15H2,1H3
InChIKeyFYNYTJSMCOEMGU-UHFFFAOYSA-N
XLogP4.04
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine?
The IUPAC name of 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine (CID 121406406) is 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine.
What is the SMILES notation for 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine?
The canonical SMILES for 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine is Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCC5)c12.
What is the InChIKey of 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine?
The InChIKey is FYNYTJSMCOEMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c1-18-6-4-9-21-25(18)26(29-17-28-21)33-11-3-2-10-23(33)22-16-24-30-20-8-5-7-19(20)27(34(24)31-22)32-12-14-35-15-13-32/h4,6,9,16-17,23H,2-3,5,7-8,10-15H2,1H3.
What are the key properties of 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine?
4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine has a molecular weight of 469.59 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]morpholine is sourced from PubChem (CID 121406406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).