5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride

C26H26ClN3O — CID 3065631

IUPAC5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride
SMILESCc1cc(C)c(/N=c2\cc3n(c(=O)n2C)CCc2c-3ccc3ccccc23)c(C)c1.Cl
InChIInChI=1S/C26H25N3O.ClH/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4;/h5-10,13-15H,11-12H2,1-4H3;1H/b27-24+;
InChIKeyWOJYTUKSGLONHE-KYYAMWDPSA-N
MW431.97 g/mol
LogP5.14
Rot. Bonds1

About 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride

5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride (PubChem CID 3065631) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride
PubChem CID3065631
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride
SMILESCc1cc(C)c(/N=c2\cc3n(c(=O)n2C)CCc2c-3ccc3ccccc23)c(C)c1.Cl
InChIInChI=1S/C26H25N3O.ClH/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4;/h5-10,13-15H,11-12H2,1-4H3;1H/b27-24+;
InChIKeyWOJYTUKSGLONHE-KYYAMWDPSA-N
XLogP5.14
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazine-1,4-dicarboxylic acid 4-guanidino-benzylamide (naphthalen-2-ylmethyl)-amide
CID 44314690
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethyl-3,7-dimethyl-2-((2-methylphenyl)imino)-, hydrochloride
CID 24845145
5-Methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one
CID 3065632
3,7,9,10-Tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 24845146
7-Methyl-6-naphthalen-1-yl-2,3,4,6-tetrahydropyrimido[1,2-c]quinazoline
CID 20628531
6-(2,3,4-trimethylphenyl)imino-3,7-dihydro-2H-pyrimido[6,1-a]isoquinolin-4-one
CID 53986472
2-(2,4,6-Trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 57214409
3-Prop-2-enyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 70495706
2-[9,10-Dimethyl-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea
CID 71078633
3-(2-Aminoethyl)-2-[2,6-di(propan-2-yl)phenyl]imino-9,10-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71078635
2-[2-[2,6-Di(propan-2-yl)phenyl]imino-9,10-dimethyl-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea
CID 71078636
1-[2-[9,10-Dimethyl-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-3-phenylurea
CID 71078643

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride?
The IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride (CID 3065631) is 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride.
What is the SMILES notation for 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride?
The canonical SMILES for 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride is Cc1cc(C)c(/N=c2\cc3n(c(=O)n2C)CCc2c-3ccc3ccccc23)c(C)c1.Cl.
What is the InChIKey of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride?
The InChIKey is WOJYTUKSGLONHE-KYYAMWDPSA-N. The full InChI is InChI=1S/C26H25N3O.ClH/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4;/h5-10,13-15H,11-12H2,1-4H3;1H/b27-24+;.
What are the key properties of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride?
5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride has a molecular weight of 431.97 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one;hydrochloride is sourced from PubChem (CID 3065631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).