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

C20H24ClN3O — CID 123939887

IUPAC14-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
SMILESCc1nc2c(o1)-c1cc(Cl)ccc1C(C)CC=C2N1CCN(C)CC1
InChIInChI=1S/C20H24ClN3O/c1-13-4-7-18(24-10-8-23(3)9-11-24)19-20(25-14(2)22-19)17-12-15(21)5-6-16(13)17/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyYONBNCCMXZACDM-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.40
Rot. Bonds1

About 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

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 (PubChem CID 123939887) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID123939887
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name14-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
SMILESCc1nc2c(o1)-c1cc(Cl)ccc1C(C)CC=C2N1CCN(C)CC1
InChIInChI=1S/C20H24ClN3O/c1-13-4-7-18(24-10-8-23(3)9-11-24)19-20(25-14(2)22-19)17-12-15(21)5-6-16(13)17/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyYONBNCCMXZACDM-UHFFFAOYSA-N
XLogP4.40
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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-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
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
4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 74249552
N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
CID 88906086
7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one
CID 169095221
1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
CID 173148061
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 3934857
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine
CID 174382709
1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
CID 90364267
1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
CID 70620008

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(o1)-c1cc(Cl)ccc1C(C)CC=C2N1CCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is YONBNCCMXZACDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-4-7-18(24-10-8-23(3)9-11-24)19-20(25-14(2)22-19)17-12-15(21)5-6-16(13)17/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 357.89 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123939887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).