2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one

C27H28N6O2 — CID 135984772

IUPAC2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1
InChIInChI=1S/C27H28N6O2/c1-5-35-20-12-10-19(11-13-20)33-17(3)24-16(2)31-32-26(25(24)18(33)4)28-15-14-23-29-22-9-7-6-8-21(22)27(34)30-23/h6-13H,5,14-15H2,1-4H3,(H,28,32)(H,29,30,34)
InChIKeyMAXANGUNNDEFEV-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.64
Rot. Bonds7

About 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one

2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 135984772) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID135984772
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1
InChIInChI=1S/C27H28N6O2/c1-5-35-20-12-10-19(11-13-20)33-17(3)24-16(2)31-32-26(25(24)18(33)4)28-15-14-23-29-22-9-7-6-8-21(22)27(34)30-23/h6-13H,5,14-15H2,1-4H3,(H,28,32)(H,29,30,34)
InChIKeyMAXANGUNNDEFEV-UHFFFAOYSA-N
XLogP4.64
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one 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

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one
CID 159905823
4-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]phenol
CID 142852007
2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137314025
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylphenyl)pyrrolo[3,4-d]pyridazine
CID 10455562
2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135930616
6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 11531673
3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanal
CID 142851910
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831944
N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135893399
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one (CID 135984772) is 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1.
What is the InChIKey of 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is MAXANGUNNDEFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-5-35-20-12-10-19(11-13-20)33-17(3)24-16(2)31-32-26(25(24)18(33)4)28-15-14-23-29-22-9-7-6-8-21(22)27(34)30-23/h6-13H,5,14-15H2,1-4H3,(H,28,32)(H,29,30,34).
What are the key properties of 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 468.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135984772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).