9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C23H22Cl2N2 — CID 76789308

IUPAC9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCC(=Cn1c2c(c3cc(C)ccc31)C1CCN(C2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H22Cl2N2/c1-14-3-6-21-18(9-14)23-17-7-8-26(12-17)13-22(23)27(21)11-15(2)16-4-5-19(24)20(25)10-16/h3-6,9-11,17H,7-8,12-13H2,1-2H3
InChIKeyHNHJTEYSECVXQV-UHFFFAOYSA-N
MW397.35 g/mol
LogP6.58
Rot. Bonds2

About 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 76789308) has the molecular formula C23H22Cl2N2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID76789308
Molecular FormulaC23H22Cl2N2
Molecular Weight397.35 g/mol
Exact Mass396.12
IUPAC Name9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCC(=Cn1c2c(c3cc(C)ccc31)C1CCN(C2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H22Cl2N2/c1-14-3-6-21-18(9-14)23-17-7-8-26(12-17)13-22(23)27(21)11-15(2)16-4-5-19(24)20(25)10-16/h3-6,9-11,17H,7-8,12-13H2,1-2H3
InChIKeyHNHJTEYSECVXQV-UHFFFAOYSA-N
XLogP6.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 76789308) is 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is CC(=Cn1c2c(c3cc(C)ccc31)C1CCN(C2)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is HNHJTEYSECVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2/c1-14-3-6-21-18(9-14)23-17-7-8-26(12-17)13-22(23)27(21)11-15(2)16-4-5-19(24)20(25)10-16/h3-6,9-11,17H,7-8,12-13H2,1-2H3.
What are the key properties of 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 397.35 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 76789308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).