(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C20H25ClN2 — CID 19879725

IUPAC(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C(/Cl)C/N=C\C41C)N2CC1CC1
InChIInChI=1S/C20H25ClN2/c1-12-19-8-16-15-7-14(21)9-22-11-20(12,2)17(15)5-6-18(16)23(19)10-13-3-4-13/h7,11-13,19H,3-6,8-10H2,1-2H3/b14-7+,22-11-
InChIKeyXXENNBILXZNSJM-JQAFZHOHSA-N
MW328.89 g/mol
LogP4.68
Rot. Bonds2

About (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879725) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.

Molecular Properties

Compound Name(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879725
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C(/Cl)C/N=C\C41C)N2CC1CC1
InChIInChI=1S/C20H25ClN2/c1-12-19-8-16-15-7-14(21)9-22-11-20(12,2)17(15)5-6-18(16)23(19)10-13-3-4-13/h7,11-13,19H,3-6,8-10H2,1-2H3/b14-7+,22-11-
InChIKeyXXENNBILXZNSJM-JQAFZHOHSA-N
XLogP4.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The IUPAC name of (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879725) is (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.
What is the SMILES notation for (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The canonical SMILES for (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CC1C2CC3=C(CCC4=C3/C=C(/Cl)C/N=C\C41C)N2CC1CC1.
What is the InChIKey of (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is XXENNBILXZNSJM-JQAFZHOHSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-12-19-8-16-15-7-14(21)9-22-11-20(12,2)17(15)5-6-18(16)23(19)10-13-3-4-13/h7,11-13,19H,3-6,8-10H2,1-2H3/b14-7+,22-11-.
What are the key properties of (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 328.89 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-chloro-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).