(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene

C19H15ClN4 — CID 800663

IUPAC(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
SMILESClc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CC3)cc1
InChIInChI=1S/C19H15ClN4/c20-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)17(16)23-19-21-11-22-24(18)19/h1-6,8-9,11,18H,7,10H2,(H,21,22,23)/t18-/m1/s1
InChIKeyGFCLNQMRKBDWHH-GOSISDBHSA-N
MW334.81 g/mol
LogP4.30
Rot. Bonds1

About (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene

(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene (PubChem CID 800663) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.

Molecular Properties

Compound Name(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
PubChem CID800663
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
SMILESClc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CC3)cc1
InChIInChI=1S/C19H15ClN4/c20-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)17(16)23-19-21-11-22-24(18)19/h1-6,8-9,11,18H,7,10H2,(H,21,22,23)/t18-/m1/s1
InChIKeyGFCLNQMRKBDWHH-GOSISDBHSA-N
XLogP4.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene with MolForge

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Related Compounds

9-(4-bromophenyl)-11-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 5210963
11-(4-bromophenyl)-9-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 5160877
(9R,11S)-9-(4-bromophenyl)-11-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 136667576
4-methyl-11-phenyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 3842415
(4S)-4-(4-chlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
CID 713351
11-(4-chlorophenyl)-9-(2,4-dichlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 4294596
4-chloro-11-(2-fluorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 5131490
(5E,9R)-5-benzylidene-9-phenyl-6,7,8,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazoline
CID 745433
(9R)-5-benzylidene-9-phenyl-6,7,8,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazoline
CID 135726778
4-chloro-11-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 4201731
(9R)-9-phenyl-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 716880
(9S,11R)-4-chloro-9,11-bis(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 136748708

Frequently Asked Questions

What is the IUPAC name of (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
The IUPAC name of (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene (CID 800663) is (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
What is the SMILES notation for (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
The canonical SMILES for (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene is Clc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CC3)cc1.
What is the InChIKey of (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
The InChIKey is GFCLNQMRKBDWHH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15ClN4/c20-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)17(16)23-19-21-11-22-24(18)19/h1-6,8-9,11,18H,7,10H2,(H,21,22,23)/t18-/m1/s1.
What are the key properties of (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene?
(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene has a molecular weight of 334.81 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene is sourced from PubChem (CID 800663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).