8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C29H26N6OS — CID 144514925

IUPAC8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1cc2cccc(-c3ccc(CN)cc3)c2c(=O)n1-c1ccccc1.Nc1ncnc2scnc12
InChIInChI=1S/C24H22N2O.C5H4N4S/c1-2-20-15-19-7-6-10-22(18-13-11-17(16-25)12-14-18)23(19)24(27)26(20)21-8-4-3-5-9-21;6-4-3-5(8-1-7-4)10-2-9-3/h3-15H,2,16,25H2,1H3;1-2H,(H2,6,7,8)
InChIKeyPCDYHQMVQHBVDZ-UHFFFAOYSA-N
MW506.64 g/mol
LogP5.35
Rot. Bonds4

About 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine

8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 144514925) has the molecular formula C29H26N6OS and a molecular weight of 506.64 g/mol. Its IUPAC name is 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID144514925
Molecular FormulaC29H26N6OS
Molecular Weight506.64 g/mol
Exact Mass506.19
IUPAC Name8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1cc2cccc(-c3ccc(CN)cc3)c2c(=O)n1-c1ccccc1.Nc1ncnc2scnc12
InChIInChI=1S/C24H22N2O.C5H4N4S/c1-2-20-15-19-7-6-10-22(18-13-11-17(16-25)12-14-18)23(19)24(27)26(20)21-8-4-3-5-9-21;6-4-3-5(8-1-7-4)10-2-9-3/h3-15H,2,16,25H2,1H3;1-2H,(H2,6,7,8)
InChIKeyPCDYHQMVQHBVDZ-UHFFFAOYSA-N
XLogP5.35
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine 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 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 144514925) is 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CCc1cc2cccc(-c3ccc(CN)cc3)c2c(=O)n1-c1ccccc1.Nc1ncnc2scnc12.
What is the InChIKey of 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is PCDYHQMVQHBVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O.C5H4N4S/c1-2-20-15-19-7-6-10-22(18-13-11-17(16-25)12-14-18)23(19)24(27)26(20)21-8-4-3-5-9-21;6-4-3-5(8-1-7-4)10-2-9-3/h3-15H,2,16,25H2,1H3;1-2H,(H2,6,7,8).
What are the key properties of 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 506.64 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one;[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 144514925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).