N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C25H27N3O3S — CID 142433050

IUPACN-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCCOCc1ccccc1-c1ccc(CNc2nc(C)nc3cc(OC)c(OC)cc23)s1
InChIInChI=1S/C25H27N3O3S/c1-5-31-15-17-8-6-7-9-19(17)24-11-10-18(32-24)14-26-25-20-12-22(29-3)23(30-4)13-21(20)27-16(2)28-25/h6-13H,5,14-15H2,1-4H3,(H,26,27,28)
InChIKeyPJJZIJUEPHQBEY-UHFFFAOYSA-N
MW449.58 g/mol
LogP5.83
Rot. Bonds9

About N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 142433050) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID142433050
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCCOCc1ccccc1-c1ccc(CNc2nc(C)nc3cc(OC)c(OC)cc23)s1
InChIInChI=1S/C25H27N3O3S/c1-5-31-15-17-8-6-7-9-19(17)24-11-10-18(32-24)14-26-25-20-12-22(29-3)23(30-4)13-21(20)27-16(2)28-25/h6-13H,5,14-15H2,1-4H3,(H,26,27,28)
InChIKeyPJJZIJUEPHQBEY-UHFFFAOYSA-N
XLogP5.83
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine with MolForge

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Related Compounds

N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432976
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432797
3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane
CID 142432961
N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432914
2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]-N,N-dimethylacetamide
CID 142432734
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(piperazin-1-ylmethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336448
6,7-dimethoxy-2-methyl-N-[1-[5-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336862
N-benzyl-2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]acetamide
CID 142432858
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
2-amino-3-[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]-N-phenylpropanamide
CID 154032227
methyl 2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]acetate;N-methyl-2-(methylamino)acetamide
CID 174217422
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336409

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 142433050) is N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is CCOCc1ccccc1-c1ccc(CNc2nc(C)nc3cc(OC)c(OC)cc23)s1.
What is the InChIKey of N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is PJJZIJUEPHQBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-5-31-15-17-8-6-7-9-19(17)24-11-10-18(32-24)14-26-25-20-12-22(29-3)23(30-4)13-21(20)27-16(2)28-25/h6-13H,5,14-15H2,1-4H3,(H,26,27,28).
What are the key properties of N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 449.58 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 142433050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).