N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide

C23H22FN5O4S — CID 11598217

IUPACN-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
SMILESCOCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
InChIInChI=1S/C23H22FN5O4S/c1-31-6-7-33-20-11-18-17(10-19(20)32-2)22(27-13-26-18)29-23-25-12-16(34-23)9-21(30)28-15-5-3-4-14(24)8-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,28,30)(H,25,26,27,29)
InChIKeyIBQHDBZMXPNKAU-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.18
Rot. Bonds10

About N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide

N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide (PubChem CID 11598217) has the molecular formula C23H22FN5O4S and a molecular weight of 483.53 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
PubChem CID11598217
Molecular FormulaC23H22FN5O4S
Molecular Weight483.53 g/mol
Exact Mass483.14
IUPAC NameN-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
SMILESCOCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
InChIInChI=1S/C23H22FN5O4S/c1-31-6-7-33-20-11-18-17(10-19(20)32-2)22(27-13-26-18)29-23-25-12-16(34-23)9-21(30)28-15-5-3-4-14(24)8-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,28,30)(H,25,26,27,29)
InChIKeyIBQHDBZMXPNKAU-UHFFFAOYSA-N
XLogP4.18
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide (CID 11598217) is N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide is COCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is IBQHDBZMXPNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4S/c1-31-6-7-33-20-11-18-17(10-19(20)32-2)22(27-13-26-18)29-23-25-12-16(34-23)9-21(30)28-15-5-3-4-14(24)8-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,28,30)(H,25,26,27,29).
What are the key properties of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide?
N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 483.53 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 11598217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).