15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C20H11ClN2O — CID 118551545

IUPAC15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESClc1nc(-c2ccccc2)c2oc3ccc4ccccc4c3c2n1
InChIInChI=1S/C20H11ClN2O/c21-20-22-17(13-7-2-1-3-8-13)19-18(23-20)16-14-9-5-4-6-12(14)10-11-15(16)24-19/h1-11H
InChIKeyDVLLUGHPXGTNQG-UHFFFAOYSA-N
MW330.77 g/mol
LogP5.85
Rot. Bonds1

About 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 118551545) has the molecular formula C20H11ClN2O and a molecular weight of 330.77 g/mol. Its IUPAC name is 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

Compound Name15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
PubChem CID118551545
Molecular FormulaC20H11ClN2O
Molecular Weight330.77 g/mol
Exact Mass330.06
IUPAC Name15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESClc1nc(-c2ccccc2)c2oc3ccc4ccccc4c3c2n1
InChIInChI=1S/C20H11ClN2O/c21-20-22-17(13-7-2-1-3-8-13)19-18(23-20)16-14-9-5-4-6-12(14)10-11-15(16)24-19/h1-11H
InChIKeyDVLLUGHPXGTNQG-UHFFFAOYSA-N
XLogP5.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.77
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene with MolForge

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Related Compounds

13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128802
2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118544103
2-chloro-4-[3-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122490040
2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118233853
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
12-(13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
CID 170371290
2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
15-(5-naphthalen-2-ylindolo[3,2-b]carbazol-11-yl)-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371341
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
5-chloro-7-phenyl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 154600708
2-chloro-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;oxolane;phenylboronic acid
CID 159828695
3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline
CID 126738166

Frequently Asked Questions

What is the IUPAC name of 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The IUPAC name of 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 118551545) is 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.
What is the SMILES notation for 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The canonical SMILES for 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is Clc1nc(-c2ccccc2)c2oc3ccc4ccccc4c3c2n1.
What is the InChIKey of 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The InChIKey is DVLLUGHPXGTNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClN2O/c21-20-22-17(13-7-2-1-3-8-13)19-18(23-20)16-14-9-5-4-6-12(14)10-11-15(16)24-19/h1-11H.
What are the key properties of 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 330.77 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 118551545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).