N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine

C24H32N4 — CID 88905417

IUPACN-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine
SMILESCCCC(CCC)Nc1cc(-c2ccc3[nH]n(C)c3c2)cc2c1=CNC(C)C=2
InChIInChI=1S/C24H32N4/c1-5-7-20(8-6-2)26-23-13-18(12-19-11-16(3)25-15-21(19)23)17-9-10-22-24(14-17)28(4)27-22/h9-16,20,25-27H,5-8H2,1-4H3
InChIKeyVPZLWYSRBISJST-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.06
Rot. Bonds7

About N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine

N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine (PubChem CID 88905417) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine
PubChem CID88905417
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC NameN-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine
SMILESCCCC(CCC)Nc1cc(-c2ccc3[nH]n(C)c3c2)cc2c1=CNC(C)C=2
InChIInChI=1S/C24H32N4/c1-5-7-20(8-6-2)26-23-13-18(12-19-11-16(3)25-15-21(19)23)17-9-10-22-24(14-17)28(4)27-22/h9-16,20,25-27H,5-8H2,1-4H3
InChIKeyVPZLWYSRBISJST-UHFFFAOYSA-N
XLogP4.06
TPSA44.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine 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

8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 71084025
1-[5-[(Z)-2-(ethylamino)prop-1-enyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]-N-(trifluoromethyl)hexan-3-amine
CID 134177921
(Z)-3-ethenyl-6-fluoro-6-methyl-N-[1-[2-(7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)cyclopropyl]ethenyl]hept-2-en-1-amine
CID 146537363
N-[2-[2-ethyl-3-[3-(hept-6-enylamino)prop-1-en-2-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]cyclohexyl]-4,4-difluorocyclohexan-1-amine
CID 170072864
4-Fluoro-7-methyl-3-propan-2-yl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 144572089
3-Fluoro-7-methyl-4-propan-2-yl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 144572093
(E,3E)-1-N'-[3-[(5-fluoro-8-propan-2-yl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)methyl]-3,4-dihydropyridin-2-yl]-3-[1-(2-methylbut-3-enyl)piperidin-3-ylidene]prop-1-ene-1,1-diamine
CID 145195881
N-[3-(8-benzyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-2-yl)phenyl]acetamide
CID 69887154
8-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 88892180
3-Ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 121427233
3-[3-Ethyl-2-(3-propan-2-ylphenyl)phenyl]-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 123177032
3-(2-Chloro-2,5-dihydropyridin-3-yl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 123352142

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine (CID 88905417) is N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine is CCCC(CCC)Nc1cc(-c2ccc3[nH]n(C)c3c2)cc2c1=CNC(C)C=2.
What is the InChIKey of N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine?
The InChIKey is VPZLWYSRBISJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-5-7-20(8-6-2)26-23-13-18(12-19-11-16(3)25-15-21(19)23)17-9-10-22-24(14-17)28(4)27-22/h9-16,20,25-27H,5-8H2,1-4H3.
What are the key properties of N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine?
N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine has a molecular weight of 376.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-3-methyl-6-(8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 88905417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).