9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene

C20H15ClN4O2 — CID 71570053

IUPAC9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
SMILESCOc1ccc2c(c1)Oc1ncn3nc(C)nc3c1C2c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2/c1-11-23-19-18-17(12-3-5-13(21)6-4-12)15-8-7-14(26-2)9-16(15)27-20(18)22-10-25(19)24-11/h3-10,17H,1-2H3
InChIKeyNNLWOSSMVWZWJB-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.38
Rot. Bonds2

About 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene

9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene (PubChem CID 71570053) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene.

Molecular Properties

Compound Name9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
PubChem CID71570053
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
SMILESCOc1ccc2c(c1)Oc1ncn3nc(C)nc3c1C2c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2/c1-11-23-19-18-17(12-3-5-13(21)6-4-12)15-8-7-14(26-2)9-16(15)27-20(18)22-10-25(19)24-11/h3-10,17H,1-2H3
InChIKeyNNLWOSSMVWZWJB-UHFFFAOYSA-N
XLogP4.38
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?
The IUPAC name of 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene (CID 71570053) is 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene.
What is the SMILES notation for 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?
The canonical SMILES for 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene is COc1ccc2c(c1)Oc1ncn3nc(C)nc3c1C2c1ccc(Cl)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?
The InChIKey is NNLWOSSMVWZWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-11-23-19-18-17(12-3-5-13(21)6-4-12)15-8-7-14(26-2)9-16(15)27-20(18)22-10-25(19)24-11/h3-10,17H,1-2H3.
What are the key properties of 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?
9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene has a molecular weight of 378.82 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-5-methoxy-13-methyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene is sourced from PubChem (CID 71570053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).