5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide

C20H16ClFN4O5 — CID 89006046

IUPAC5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1=CCC(C(=O)NO)O1
InChIInChI=1S/C20H16ClFN4O5/c1-29-16-8-14-11(7-17(16)31-18-5-4-15(30-18)20(27)26-28)19(24-9-23-14)25-10-2-3-13(22)12(21)6-10/h2-3,5-9,15,28H,4H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyJGFFFRLGLCSAOP-UHFFFAOYSA-N
MW446.82 g/mol
LogP3.69
Rot. Bonds6

About 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide

5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide (PubChem CID 89006046) has the molecular formula C20H16ClFN4O5 and a molecular weight of 446.82 g/mol. Its IUPAC name is 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide
PubChem CID89006046
Molecular FormulaC20H16ClFN4O5
Molecular Weight446.82 g/mol
Exact Mass446.08
IUPAC Name5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1=CCC(C(=O)NO)O1
InChIInChI=1S/C20H16ClFN4O5/c1-29-16-8-14-11(7-17(16)31-18-5-4-15(30-18)20(27)26-28)19(24-9-23-14)25-10-2-3-13(22)12(21)6-10/h2-3,5-9,15,28H,4H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyJGFFFRLGLCSAOP-UHFFFAOYSA-N
XLogP3.69
TPSA114.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.82
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(oxiran-2-yl)heptan-1-one
CID 42597705
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyacetamide;2,3-dihydroxybutanedioic acid
CID 25224747
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxysulfanyl-N-hydroxybutanamide
CID 143645931
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
(4S)-4-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-N,N,2-trimethylpyrrolidine-1-carboxamide
CID 91291086
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
3-bromo-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]propanamide
CID 141238309
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide (CID 89006046) is 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1=CCC(C(=O)NO)O1.
What is the InChIKey of 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide?
The InChIKey is JGFFFRLGLCSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O5/c1-29-16-8-14-11(7-17(16)31-18-5-4-15(30-18)20(27)26-28)19(24-9-23-14)25-10-2-3-13(22)12(21)6-10/h2-3,5-9,15,28H,4H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide?
5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide has a molecular weight of 446.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxy-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 89006046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).