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

C16H19ClN2 — CID 57157118

IUPAC6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
SMILESCC1C2CC3C(=N2)CCC2=C3C=C(Cl)C/N=C\C21C
InChIInChI=1S/C16H19ClN2/c1-9-15-6-12-11-5-10(17)7-18-8-16(9,2)13(11)3-4-14(12)19-15/h5,8-9,12,15H,3-4,6-7H2,1-2H3/b10-5?,18-8-
InChIKeyJWLNRKBBXGCOIT-USMRSXRTSA-N
MW274.79 g/mol
LogP3.77
Rot. Bonds

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

6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene (PubChem CID 57157118) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene.

Molecular Properties

Compound Name6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
PubChem CID57157118
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
SMILESCC1C2CC3C(=N2)CCC2=C3C=C(Cl)C/N=C\C21C
InChIInChI=1S/C16H19ClN2/c1-9-15-6-12-11-5-10(17)7-18-8-16(9,2)13(11)3-4-14(12)19-15/h5,8-9,12,15H,3-4,6-7H2,1-2H3/b10-5?,18-8-
InChIKeyJWLNRKBBXGCOIT-USMRSXRTSA-N
XLogP3.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-6-chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879724
(5E)-6-chloro-15-ethyl-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879728
(5E)-6-chloro-10,15,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879735
(5E)-6-chloro-10,16-dimethyl-15-prop-2-enyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879768
(5E)-6-chloro-10,16-dimethyl-15-(3-methylbut-2-enyl)-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 23049992
10-chloro-1,2,3,4,5,6-hexahydro-3,6,12-trimethyl-2,6-methano-9H-pyrrolo[3,2-h][3]benzazocine
CID 53780973
6-Chloro-9,10,15,16-tetramethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 54039751
6-Chloro-10,16-dimethyl-15-(3-methylbut-2-enyl)-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 54151721
10-Chloro-6,12-dimethyl-3-ethyl-1,2,3,4,5,6-hexahydro-2,6-methano-9H-pyrrolo-[3,2-h][3]benzazocine
CID 54291701
10-Chloro-6,12-dimethyl-1,2,3,4,5,6-hexahydro-3-(2-propenyl)-2,6-methano-9H-pyrrolo-[3,2-h][3]benzazocine
CID 54508834
6-Chloro-9,10,16-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57047997
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57053520

Frequently Asked Questions

What is the IUPAC name of 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The IUPAC name of 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene (CID 57157118) is 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene.
What is the SMILES notation for 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The canonical SMILES for 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene is CC1C2CC3C(=N2)CCC2=C3C=C(Cl)C/N=C\C21C.
What is the InChIKey of 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The InChIKey is JWLNRKBBXGCOIT-USMRSXRTSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-9-15-6-12-11-5-10(17)7-18-8-16(9,2)13(11)3-4-14(12)19-15/h5,8-9,12,15H,3-4,6-7H2,1-2H3/b10-5?,18-8-.
What are the key properties of 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene has a molecular weight of 274.79 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene is sourced from PubChem (CID 57157118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).