5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene

C29H35N7O3 — CID 121406416

IUPAC5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
SMILESCCOc1nc(N2CCCCC2c2cc3nc4c(c(N5CCOCC5)n3n2)COCC4)c2c(C)cccc2n1
InChIInChI=1S/C29H35N7O3/c1-3-39-29-31-22-8-6-7-19(2)26(22)27(32-29)35-11-5-4-9-24(35)23-17-25-30-21-10-14-38-18-20(21)28(36(25)33-23)34-12-15-37-16-13-34/h6-8,17,24H,3-5,9-16,18H2,1-2H3
InChIKeyNRIYAPGGKMPYJP-UHFFFAOYSA-N
MW529.65 g/mol
LogP4.02
Rot. Bonds5

About 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene

5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene (PubChem CID 121406416) has the molecular formula C29H35N7O3 and a molecular weight of 529.65 g/mol. Its IUPAC name is 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene.

Molecular Properties

Compound Name5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
PubChem CID121406416
Molecular FormulaC29H35N7O3
Molecular Weight529.65 g/mol
Exact Mass529.28
IUPAC Name5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
SMILESCCOc1nc(N2CCCCC2c2cc3nc4c(c(N5CCOCC5)n3n2)COCC4)c2c(C)cccc2n1
InChIInChI=1S/C29H35N7O3/c1-3-39-29-31-22-8-6-7-19(2)26(22)27(32-29)35-11-5-4-9-24(35)23-17-25-30-21-10-14-38-18-20(21)28(36(25)33-23)34-12-15-37-16-13-34/h6-8,17,24H,3-5,9-16,18H2,1-2H3
InChIKeyNRIYAPGGKMPYJP-UHFFFAOYSA-N
XLogP4.02
TPSA90.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.65
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
The IUPAC name of 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene (CID 121406416) is 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene.
What is the SMILES notation for 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
The canonical SMILES for 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene is CCOc1nc(N2CCCCC2c2cc3nc4c(c(N5CCOCC5)n3n2)COCC4)c2c(C)cccc2n1.
What is the InChIKey of 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
The InChIKey is NRIYAPGGKMPYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3/c1-3-39-29-31-22-8-6-7-19(2)26(22)27(32-29)35-11-5-4-9-24(35)23-17-25-30-21-10-14-38-18-20(21)28(36(25)33-23)34-12-15-37-16-13-34/h6-8,17,24H,3-5,9-16,18H2,1-2H3.
What are the key properties of 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?
5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene has a molecular weight of 529.65 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2-yl]-8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene is sourced from PubChem (CID 121406416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).