2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol

C21H17ClFN3O3S — CID 150851734

IUPAC2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol
SMILESCOc1cc2c(Cc3cc(O)c(Cl)cc3F)ncnc2cc1OCc1csc(C)n1
InChIInChI=1S/C21H17ClFN3O3S/c1-11-26-13(9-30-11)8-29-21-7-18-14(5-20(21)28-2)17(24-10-25-18)3-12-4-19(27)15(22)6-16(12)23/h4-7,9-10,27H,3,8H2,1-2H3
InChIKeyKQDZRBXGLKNWGE-UHFFFAOYSA-N
MW445.90 g/mol
LogP5.07
Rot. Bonds6

About 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol

2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol (PubChem CID 150851734) has the molecular formula C21H17ClFN3O3S and a molecular weight of 445.90 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol
PubChem CID150851734
Molecular FormulaC21H17ClFN3O3S
Molecular Weight445.90 g/mol
Exact Mass445.07
IUPAC Name2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol
SMILESCOc1cc2c(Cc3cc(O)c(Cl)cc3F)ncnc2cc1OCc1csc(C)n1
InChIInChI=1S/C21H17ClFN3O3S/c1-11-26-13(9-30-11)8-29-21-7-18-14(5-20(21)28-2)17(24-10-25-18)3-12-4-19(27)15(22)6-16(12)23/h4-7,9-10,27H,3,8H2,1-2H3
InChIKeyKQDZRBXGLKNWGE-UHFFFAOYSA-N
XLogP5.07
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.90
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol with MolForge

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Related Compounds

2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol
CID 151966668
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
CID 145016681
[3-chloro-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60879593
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
CID 43311708
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
[3,5-difluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888636
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 16769172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol (CID 150851734) is 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol is COc1cc2c(Cc3cc(O)c(Cl)cc3F)ncnc2cc1OCc1csc(C)n1.
What is the InChIKey of 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol?
The InChIKey is KQDZRBXGLKNWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3S/c1-11-26-13(9-30-11)8-29-21-7-18-14(5-20(21)28-2)17(24-10-25-18)3-12-4-19(27)15(22)6-16(12)23/h4-7,9-10,27H,3,8H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol?
2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol has a molecular weight of 445.90 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol is sourced from PubChem (CID 150851734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).