N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide

C26H27FN4O3S — CID 135336408

IUPACN-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-c4ccc(F)cc4CNC(C)=O)s3)c2cc1OC
InChIInChI=1S/C26H27FN4O3S/c1-14(29-26-20-11-22(33-4)23(34-5)12-21(20)30-15(2)31-26)24-8-9-25(35-24)19-7-6-18(27)10-17(19)13-28-16(3)32/h6-12,14H,13H2,1-5H3,(H,28,32)(H,29,30,31)
InChIKeyIZSFCKTXQNZOCJ-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.63
Rot. Bonds8

About N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide

N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide (PubChem CID 135336408) has the molecular formula C26H27FN4O3S and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide
PubChem CID135336408
Molecular FormulaC26H27FN4O3S
Molecular Weight494.59 g/mol
Exact Mass494.18
IUPAC NameN-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-c4ccc(F)cc4CNC(C)=O)s3)c2cc1OC
InChIInChI=1S/C26H27FN4O3S/c1-14(29-26-20-11-22(33-4)23(34-5)12-21(20)30-15(2)31-26)24-8-9-25(35-24)19-7-6-18(27)10-17(19)13-28-16(3)32/h6-12,14H,13H2,1-5H3,(H,28,32)(H,29,30,31)
InChIKeyIZSFCKTXQNZOCJ-UHFFFAOYSA-N
XLogP5.63
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide 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-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide?
The IUPAC name of N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide (CID 135336408) is N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide?
The canonical SMILES for N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide is COc1cc2nc(C)nc(NC(C)c3ccc(-c4ccc(F)cc4CNC(C)=O)s3)c2cc1OC.
What is the InChIKey of N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide?
The InChIKey is IZSFCKTXQNZOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3S/c1-14(29-26-20-11-22(33-4)23(34-5)12-21(20)30-15(2)31-26)24-8-9-25(35-24)19-7-6-18(27)10-17(19)13-28-16(3)32/h6-12,14H,13H2,1-5H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide?
N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide has a molecular weight of 494.59 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]-5-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 135336408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).