16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol

C19H19ClN4O2 — CID 162786221

IUPAC16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol
SMILESCC1(n2c3c(c4c(Cl)ncnc42)-c2noc(C4CC4)c2C(O)CC3)CC1
InChIInChI=1S/C19H19ClN4O2/c1-19(6-7-19)24-10-4-5-11(25)13-15(23-26-16(13)9-2-3-9)12(10)14-17(20)21-8-22-18(14)24/h8-9,11,25H,2-7H2,1H3
InChIKeyGYIFKHKOTKYPKL-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.11
Rot. Bonds2

About 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol

16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol (PubChem CID 162786221) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol.

Molecular Properties

Compound Name16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol
PubChem CID162786221
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol
SMILESCC1(n2c3c(c4c(Cl)ncnc42)-c2noc(C4CC4)c2C(O)CC3)CC1
InChIInChI=1S/C19H19ClN4O2/c1-19(6-7-19)24-10-4-5-11(25)13-15(23-26-16(13)9-2-3-9)12(10)14-17(20)21-8-22-18(14)24/h8-9,11,25H,2-7H2,1H3
InChIKeyGYIFKHKOTKYPKL-UHFFFAOYSA-N
XLogP4.11
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol 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-methylcyclopropyl)-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-ol?
The IUPAC name of 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol (CID 162786221) is 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol.
What is the SMILES notation for 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol?
The canonical SMILES for 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol is CC1(n2c3c(c4c(Cl)ncnc42)-c2noc(C4CC4)c2C(O)CC3)CC1.
What is the InChIKey of 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol?
The InChIKey is GYIFKHKOTKYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-19(6-7-19)24-10-4-5-11(25)13-15(23-26-16(13)9-2-3-9)12(10)14-17(20)21-8-22-18(14)24/h8-9,11,25H,2-7H2,1H3.
What are the key properties of 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol?
16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol has a molecular weight of 370.84 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-5-cyclopropyl-11-(1-methylcyclopropyl)-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-ol is sourced from PubChem (CID 162786221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).