5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene

C27H31N7O2 — CID 121406415

IUPAC5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCOC5)c12
InChIInChI=1S/C27H31N7O2/c1-18-5-4-6-20-25(18)26(29-17-28-20)33-9-3-2-7-23(33)21-15-24-30-22-16-36-12-8-19(22)27(34(24)31-21)32-10-13-35-14-11-32/h4-6,15,17,23H,2-3,7-14,16H2,1H3
InChIKeyDMIDWTXBEQDALU-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.62
Rot. Bonds3

About 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene

5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene (PubChem CID 121406415) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene.

Molecular Properties

Compound Name5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
PubChem CID121406415
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCOC5)c12
InChIInChI=1S/C27H31N7O2/c1-18-5-4-6-20-25(18)26(29-17-28-20)33-9-3-2-7-23(33)21-15-24-30-22-16-36-12-8-19(22)27(34(24)31-21)32-10-13-35-14-11-32/h4-6,15,17,23H,2-3,7-14,16H2,1H3
InChIKeyDMIDWTXBEQDALU-UHFFFAOYSA-N
XLogP3.62
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
The IUPAC name of 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene (CID 121406415) is 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene.
What is the SMILES notation for 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
The canonical SMILES for 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene is Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCOC5)c12.
What is the InChIKey of 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
The InChIKey is DMIDWTXBEQDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-18-5-4-6-20-25(18)26(29-17-28-20)33-9-3-2-7-23(33)21-15-24-30-22-16-36-12-8-19(22)27(34(24)31-21)32-10-13-35-14-11-32/h4-6,15,17,23H,2-3,7-14,16H2,1H3.
What are the key properties of 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene has a molecular weight of 485.59 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-12-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene is sourced from PubChem (CID 121406415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).