8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one

C19H17N3O4 — CID 42535471

IUPAC8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
SMILESCn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O
InChIInChI=1S/C19H17N3O4/c1-19(2)7-10-11(8-25-19)14(12-5-4-6-24-12)21-17-13(10)15-16(26-17)18(23)22(3)9-20-15/h4-6,9H,7-8H2,1-3H3
InChIKeyXMZLUMFTJXXQDQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.19
Rot. Bonds1

About 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one

8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one (PubChem CID 42535471) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one.

Molecular Properties

Compound Name8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
PubChem CID42535471
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
SMILESCn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O
InChIInChI=1S/C19H17N3O4/c1-19(2)7-10-11(8-25-19)14(12-5-4-6-24-12)21-17-13(10)15-16(26-17)18(23)22(3)9-20-15/h4-6,9H,7-8H2,1-3H3
InChIKeyXMZLUMFTJXXQDQ-UHFFFAOYSA-N
XLogP3.19
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one 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 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one?
The IUPAC name of 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one (CID 42535471) is 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one.
What is the SMILES notation for 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one?
The canonical SMILES for 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one is Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O.
What is the InChIKey of 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one?
The InChIKey is XMZLUMFTJXXQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-19(2)7-10-11(8-25-19)14(12-5-4-6-24-12)21-17-13(10)15-16(26-17)18(23)22(3)9-20-15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one?
8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one has a molecular weight of 351.36 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one is sourced from PubChem (CID 42535471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).