N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide

C19H19FN4O4 — CID 5329031

IUPACN-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC
InChIInChI=1S/C19H19FN4O4/c1-10-4-12(20)14(7-16(10)25)24-19-11-5-17(28-3)15(23-18(26)8-27-2)6-13(11)21-9-22-19/h4-7,9,25H,8H2,1-3H3,(H,23,26)(H,21,22,24)
InChIKeySGKBYSBTZYZOJQ-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.12
Rot. Bonds6

About N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide

N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide (PubChem CID 5329031) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide
PubChem CID5329031
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC
InChIInChI=1S/C19H19FN4O4/c1-10-4-12(20)14(7-16(10)25)24-19-11-5-17(28-3)15(23-18(26)8-27-2)6-13(11)21-9-22-19/h4-7,9,25H,8H2,1-3H3,(H,23,26)(H,21,22,24)
InChIKeySGKBYSBTZYZOJQ-UHFFFAOYSA-N
XLogP3.12
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide with MolForge

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Related Compounds

5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol
CID 5329010
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-2-methylphenol
CID 10425574
ZM 323881 hydrochloride
CID 22624897
5-((7-(Benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol
CID 16759369
4-Fluoro-5-({6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl}amino)-2-methylphenol
CID 5329044
N-(2-Hydroxyethyl)-N-methyl-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}acetamide
CID 11547377
(2R)-N-(2-Hydroxyethyl)-N-methyl-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}propanamide
CID 11591222
(2R)-N-(2-hydroxyethyl)-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}propanamide
CID 11619812
(2S)-N-(2-hydroxyethyl)-N-methyl-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}propanamide
CID 11677510
3-[(6,7-Dimethoxyquinazolin-4-yl)amino]-4-fluorophenol
CID 21701572
3-[(6,7-Dimethoxyquinazolin-4-yl)amino]benzene-1,2-diol
CID 22172657
4-Fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
CID 118111994

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide (CID 5329031) is N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide is COCC(=O)Nc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide?
The InChIKey is SGKBYSBTZYZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-10-4-12(20)14(7-16(10)25)24-19-11-5-17(28-3)15(23-18(26)8-27-2)6-13(11)21-9-22-19/h4-7,9,25H,8H2,1-3H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide?
N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide has a molecular weight of 386.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]-2-methoxyacetamide is sourced from PubChem (CID 5329031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).