14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene

C19H23ClN4 — CID 123451297

IUPAC14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene
SMILESCC1CC=C(N2CCN(C)CC2)n2nccc2-c2cc(Cl)ccc21
InChIInChI=1S/C19H23ClN4/c1-14-3-6-19(23-11-9-22(2)10-12-23)24-18(7-8-21-24)17-13-15(20)4-5-16(14)17/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyWKZBJWBZHGFYKH-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.76
Rot. Bonds1

About 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene

14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene (PubChem CID 123451297) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene.

Molecular Properties

Compound Name14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene
PubChem CID123451297
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC Name14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene
SMILESCC1CC=C(N2CCN(C)CC2)n2nccc2-c2cc(Cl)ccc21
InChIInChI=1S/C19H23ClN4/c1-14-3-6-19(23-11-9-22(2)10-12-23)24-18(7-8-21-24)17-13-15(20)4-5-16(14)17/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyWKZBJWBZHGFYKH-UHFFFAOYSA-N
XLogP3.76
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene with MolForge

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Related Compounds

14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 90841400
14-chloro-4,10-dimethyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 123939887
N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
CID 88906086
(E)-N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]-1-phenylpropan-2-imine
CID 88906226
7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine
CID 70590951
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
CID 70620008
15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene
CID 123338850
1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine
CID 70981611
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
CID 173148061
N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
CID 88906137

Frequently Asked Questions

What is the IUPAC name of 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene?
The IUPAC name of 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene (CID 123451297) is 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene.
What is the SMILES notation for 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene?
The canonical SMILES for 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene is CC1CC=C(N2CCN(C)CC2)n2nccc2-c2cc(Cl)ccc21.
What is the InChIKey of 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene?
The InChIKey is WKZBJWBZHGFYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c1-14-3-6-19(23-11-9-22(2)10-12-23)24-18(7-8-21-24)17-13-15(20)4-5-16(14)17/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene?
14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene has a molecular weight of 342.87 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene is sourced from PubChem (CID 123451297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).