4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C21H16FN5O2 — CID 57399506

IUPAC4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)cc4)ncc3c2)ccn1
InChIInChI=1S/C21H16FN5O2/c1-23-20(28)19-11-17(8-9-24-19)29-16-6-7-18-13(10-16)12-25-21(27-18)26-15-4-2-14(22)3-5-15/h2-12H,1H3,(H,23,28)(H,25,26,27)
InChIKeyKUWGNPALVIAANV-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.06
Rot. Bonds5

About 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 57399506) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID57399506
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)cc4)ncc3c2)ccn1
InChIInChI=1S/C21H16FN5O2/c1-23-20(28)19-11-17(8-9-24-19)29-16-6-7-18-13(10-16)12-25-21(27-18)26-15-4-2-14(22)3-5-15/h2-12H,1H3,(H,23,28)(H,25,26,27)
InChIKeyKUWGNPALVIAANV-UHFFFAOYSA-N
XLogP4.06
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Rebastinib
CID 25066467
4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548194
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide
CID 59174579
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
2-(Methylamino)pyrimidine 57
CID 16108996
2-(Methylamino)pyrimidine 58
CID 16108997
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040857

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 57399506) is 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)cc4)ncc3c2)ccn1.
What is the InChIKey of 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is KUWGNPALVIAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-23-20(28)19-11-17(8-9-24-19)29-16-6-7-18-13(10-16)12-25-21(27-18)26-15-4-2-14(22)3-5-15/h2-12H,1H3,(H,23,28)(H,25,26,27).
What are the key properties of 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 57399506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).