16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one

C18H14ClF3N4O2 — CID 146443802

IUPAC16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one
SMILESCC(n1c2c(c3c(Cl)ncnc31)-c1noc(C3CC3)c1C(=O)CC2)C(F)(F)F
InChIInChI=1S/C18H14ClF3N4O2/c1-7(18(20,21)22)26-9-4-5-10(27)12-14(25-28-15(12)8-2-3-8)11(9)13-16(19)23-6-24-17(13)26/h6-8H,2-5H2,1H3
InChIKeyUOXAOEQALRVMLD-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.87
Rot. Bonds2

About 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one

16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one (PubChem CID 146443802) has the molecular formula C18H14ClF3N4O2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one.

Molecular Properties

Compound Name16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one
PubChem CID146443802
Molecular FormulaC18H14ClF3N4O2
Molecular Weight410.78 g/mol
Exact Mass410.08
IUPAC Name16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one
SMILESCC(n1c2c(c3c(Cl)ncnc31)-c1noc(C3CC3)c1C(=O)CC2)C(F)(F)F
InChIInChI=1S/C18H14ClF3N4O2/c1-7(18(20,21)22)26-9-4-5-10(27)12-14(25-28-15(12)8-2-3-8)11(9)13-16(19)23-6-24-17(13)26/h6-8H,2-5H2,1H3
InChIKeyUOXAOEQALRVMLD-UHFFFAOYSA-N
XLogP4.87
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-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 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one?
The IUPAC name of 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one (CID 146443802) is 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one.
What is the SMILES notation for 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one?
The canonical SMILES for 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one is CC(n1c2c(c3c(Cl)ncnc31)-c1noc(C3CC3)c1C(=O)CC2)C(F)(F)F.
What is the InChIKey of 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one?
The InChIKey is UOXAOEQALRVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2/c1-7(18(20,21)22)26-9-4-5-10(27)12-14(25-28-15(12)8-2-3-8)11(9)13-16(19)23-6-24-17(13)26/h6-8H,2-5H2,1H3.
What are the key properties of 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one?
16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one has a molecular weight of 410.78 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12(17),13,15-hexaen-7-one is sourced from PubChem (CID 146443802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).