2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol

C21H16ClFN2O3S — CID 151966668

IUPAC2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol
SMILESCOc1cc2c(Cc3cc(O)c(Cl)cc3F)ncnc2cc1OCc1ccsc1
InChIInChI=1S/C21H16ClFN2O3S/c1-27-20-6-14-17(4-13-5-19(26)15(22)7-16(13)23)24-11-25-18(14)8-21(20)28-9-12-2-3-29-10-12/h2-3,5-8,10-11,26H,4,9H2,1H3
InChIKeyTZURBPRHLLNYBW-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.37
Rot. Bonds6

About 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol

2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol (PubChem CID 151966668) has the molecular formula C21H16ClFN2O3S and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol
PubChem CID151966668
Molecular FormulaC21H16ClFN2O3S
Molecular Weight430.89 g/mol
Exact Mass430.06
IUPAC Name2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol
SMILESCOc1cc2c(Cc3cc(O)c(Cl)cc3F)ncnc2cc1OCc1ccsc1
InChIInChI=1S/C21H16ClFN2O3S/c1-27-20-6-14-17(4-13-5-19(26)15(22)7-16(13)23)24-11-25-18(14)8-21(20)28-9-12-2-3-29-10-12/h2-3,5-8,10-11,26H,4,9H2,1H3
InChIKeyTZURBPRHLLNYBW-UHFFFAOYSA-N
XLogP5.37
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-chloro-4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]methyl]phenol
CID 150851734
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
CID 176664908
6,7-dimethoxy-4-propylquinazoline
CID 4077807
3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847469
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 5173894
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol (CID 151966668) is 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol is COc1cc2c(Cc3cc(O)c(Cl)cc3F)ncnc2cc1OCc1ccsc1.
What is the InChIKey of 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol?
The InChIKey is TZURBPRHLLNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3S/c1-27-20-6-14-17(4-13-5-19(26)15(22)7-16(13)23)24-11-25-18(14)8-21(20)28-9-12-2-3-29-10-12/h2-3,5-8,10-11,26H,4,9H2,1H3.
What are the key properties of 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol?
2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol has a molecular weight of 430.89 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[[6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-yl]methyl]phenol is sourced from PubChem (CID 151966668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).