4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide

C28H20FN5O2 — CID 167082826

IUPAC4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3ccc(C(=O)Nc4ncccc4F)cc3)cc3cncnc23)c1
InChIInChI=1S/C28H20FN5O2/c1-17(35)33-23-5-2-4-20(13-23)24-14-21(12-22-15-30-16-32-26(22)24)18-7-9-19(10-8-18)28(36)34-27-25(29)6-3-11-31-27/h2-16H,1H3,(H,33,35)(H,31,34,36)
InChIKeyXSIQKTVNTIAASM-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.71
Rot. Bonds5

About 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide

4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide (PubChem CID 167082826) has the molecular formula C28H20FN5O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide
PubChem CID167082826
Molecular FormulaC28H20FN5O2
Molecular Weight477.50 g/mol
Exact Mass477.16
IUPAC Name4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3ccc(C(=O)Nc4ncccc4F)cc3)cc3cncnc23)c1
InChIInChI=1S/C28H20FN5O2/c1-17(35)33-23-5-2-4-20(13-23)24-14-21(12-22-15-30-16-32-26(22)24)18-7-9-19(10-8-18)28(36)34-27-25(29)6-3-11-31-27/h2-16H,1H3,(H,33,35)(H,31,34,36)
InChIKeyXSIQKTVNTIAASM-UHFFFAOYSA-N
XLogP5.71
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
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3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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CID 24858111

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide (CID 167082826) is 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide is CC(=O)Nc1cccc(-c2cc(-c3ccc(C(=O)Nc4ncccc4F)cc3)cc3cncnc23)c1.
What is the InChIKey of 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide?
The InChIKey is XSIQKTVNTIAASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN5O2/c1-17(35)33-23-5-2-4-20(13-23)24-14-21(12-22-15-30-16-32-26(22)24)18-7-9-19(10-8-18)28(36)34-27-25(29)6-3-11-31-27/h2-16H,1H3,(H,33,35)(H,31,34,36).
What are the key properties of 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide?
4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide has a molecular weight of 477.50 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 167082826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).