N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide

C28H32N8O4 — CID 146299584

IUPACN-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide
SMILESCCOc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(=O)c3nn[nH]n3)c(=O)n1CC2
InChIInChI=1S/C28H32N8O4/c1-6-40-23-13-19-7-9-35-21(20(19)14-22(23)39-5)15-24(30-25-17(3)11-16(2)12-18(25)4)36(28(35)38)10-8-29-27(37)26-31-33-34-32-26/h11-15H,6-10H2,1-5H3,(H,29,37)(H,31,32,33,34)/b30-24+
InChIKeyVJORIVFPAFAHCT-BGABXYSRSA-N
MW544.62 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide

N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide (PubChem CID 146299584) has the molecular formula C28H32N8O4 and a molecular weight of 544.62 g/mol. Its IUPAC name is N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide
PubChem CID146299584
Molecular FormulaC28H32N8O4
Molecular Weight544.62 g/mol
Exact Mass544.25
IUPAC NameN-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide
SMILESCCOc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(=O)c3nn[nH]n3)c(=O)n1CC2
InChIInChI=1S/C28H32N8O4/c1-6-40-23-13-19-7-9-35-21(20(19)14-22(23)39-5)15-24(30-25-17(3)11-16(2)12-18(25)4)36(28(35)38)10-8-29-27(37)26-31-33-34-32-26/h11-15H,6-10H2,1-5H3,(H,29,37)(H,31,32,33,34)/b30-24+
InChIKeyVJORIVFPAFAHCT-BGABXYSRSA-N
XLogP2.38
TPSA141.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.62
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide 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 N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide (CID 146299584) is N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide is CCOc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(=O)c3nn[nH]n3)c(=O)n1CC2.
What is the InChIKey of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide?
The InChIKey is VJORIVFPAFAHCT-BGABXYSRSA-N. The full InChI is InChI=1S/C28H32N8O4/c1-6-40-23-13-19-7-9-35-21(20(19)14-22(23)39-5)15-24(30-25-17(3)11-16(2)12-18(25)4)36(28(35)38)10-8-29-27(37)26-31-33-34-32-26/h11-15H,6-10H2,1-5H3,(H,29,37)(H,31,32,33,34)/b30-24+.
What are the key properties of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide?
N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide has a molecular weight of 544.62 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 146299584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).