methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate

C17H14FN3O2 — CID 133443561

IUPACmethyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
InChIInChI=1S/C17H14FN3O2/c1-23-16(22)8-11-3-2-4-13(7-11)21-17-14-9-12(18)5-6-15(14)19-10-20-17/h2-7,9-10H,8H2,1H3,(H,19,20,21)
InChIKeyGVYHBCBGURTOSP-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.23
Rot. Bonds4

About methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate

methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate (PubChem CID 133443561) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
PubChem CID133443561
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
InChIInChI=1S/C17H14FN3O2/c1-23-16(22)8-11-3-2-4-13(7-11)21-17-14-9-12(18)5-6-15(14)19-10-20-17/h2-7,9-10H,8H2,1H3,(H,19,20,21)
InChIKeyGVYHBCBGURTOSP-UHFFFAOYSA-N
XLogP3.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
methyl 3-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]-2-methylpropanoate
CID 133466647
methyl 4-[4-[(3-fluorophenyl)methoxy]-3-(iodomethyl)anilino]quinazoline-6-carboxylate
CID 89367137
3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
CID 46879811
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
1-[4-[4-[(3-fluorophenyl)methoxy]-3-(iodomethyl)anilino]quinazolin-6-yl]ethanone
CID 89367136
[4-(4-anilinoquinazolin-6-yl)-2-methoxyphenyl] 2-phenylacetate
CID 161446124
4-(2,4-difluorophenyl)-1-[4-(3-ethynylanilino)quinazolin-6-yl]butan-2-one
CID 160515348
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
[3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-fluorobenzoate
CID 23883890
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate (CID 133443561) is methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate is COC(=O)Cc1cccc(Nc2ncnc3ccc(F)cc23)c1.
What is the InChIKey of methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate?
The InChIKey is GVYHBCBGURTOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-16(22)8-11-3-2-4-13(7-11)21-17-14-9-12(18)5-6-15(14)19-10-20-17/h2-7,9-10H,8H2,1H3,(H,19,20,21).
What are the key properties of methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate?
methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate has a molecular weight of 311.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate is sourced from PubChem (CID 133443561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).