3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride

C17H17ClFN3O3 — CID 118112107

IUPAC3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
SMILESCOc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC.Cl
InChIInChI=1S/C17H16FN3O3.ClH/c1-9-13(22)5-4-11(18)16(9)21-17-10-6-14(23-2)15(24-3)7-12(10)19-8-20-17;/h4-8,22H,1-3H3,(H,19,20,21);1H
InChIKeyDXDWFVWVBMPENU-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.97
Rot. Bonds4

About 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride

3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride (PubChem CID 118112107) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
PubChem CID118112107
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
SMILESCOc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC.Cl
InChIInChI=1S/C17H16FN3O3.ClH/c1-9-13(22)5-4-11(18)16(9)21-17-10-6-14(23-2)15(24-3)7-12(10)19-8-20-17;/h4-8,22H,1-3H3,(H,19,20,21);1H
InChIKeyDXDWFVWVBMPENU-UHFFFAOYSA-N
XLogP3.97
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-[[7-[2-(2-hydroxyethylamino)ethoxy]-6-methoxyquinazolin-4-yl]amino]-2-methylphenol
CID 118112124
4-fluoro-3-[[6-methoxy-7-[(3-methylimidazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
CID 118112060
4-fluoro-3-[[7-[3-[2-hydroxyethyl(methyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]-2-methylphenol
CID 118111975
4-fluoro-3-[[6-methoxy-7-(oxolan-2-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
CID 118112194
4-fluoro-3-[[6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinazolin-4-yl]amino]-2-methylphenol
CID 118112000
2-[4-(6-fluoro-3-hydroxy-2-methylanilino)-6-methoxyquinazolin-7-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 118112221
4-fluoro-3-[[6-methoxy-7-[3-(4-methoxypiperidin-1-yl)propoxy]quinazolin-4-yl]amino]-2-methylphenol
CID 118112031
4-fluoro-3-[[6-methoxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]quinazolin-4-yl]amino]-2-methylphenol
CID 118112199
4-fluoro-3-[[6-methoxy-7-[2-(oxolan-2-ylmethylamino)ethoxy]quinazolin-4-yl]amino]-2-methylphenol
CID 118112043
2,4-difluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]phenol
CID 118112203
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride?
The IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride (CID 118112107) is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride.
What is the SMILES notation for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride?
The canonical SMILES for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride is COc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC.Cl.
What is the InChIKey of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride?
The InChIKey is DXDWFVWVBMPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3.ClH/c1-9-13(22)5-4-11(18)16(9)21-17-10-6-14(23-2)15(24-3)7-12(10)19-8-20-17;/h4-8,22H,1-3H3,(H,19,20,21);1H.
What are the key properties of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride?
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride has a molecular weight of 365.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride is sourced from PubChem (CID 118112107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).