N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide

C22H17FN4O2 — CID 71179930

IUPACN-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(NC(C)=O)nc(-c3cccnc3)nc12
InChIInChI=1S/C22H17FN4O2/c1-13(28)25-22-18-10-16(14-5-7-17(23)8-6-14)11-19(29-2)20(18)26-21(27-22)15-4-3-9-24-12-15/h3-12H,1-2H3,(H,25,26,27,28)
InChIKeyUMLQRDWXSLNNAO-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.46
Rot. Bonds4

About N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide

N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide (PubChem CID 71179930) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide
PubChem CID71179930
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(NC(C)=O)nc(-c3cccnc3)nc12
InChIInChI=1S/C22H17FN4O2/c1-13(28)25-22-18-10-16(14-5-7-17(23)8-6-14)11-19(29-2)20(18)26-21(27-22)15-4-3-9-24-12-15/h3-12H,1-2H3,(H,25,26,27,28)
InChIKeyUMLQRDWXSLNNAO-UHFFFAOYSA-N
XLogP4.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide (CID 71179930) is N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide is COc1cc(-c2ccc(F)cc2)cc2c(NC(C)=O)nc(-c3cccnc3)nc12.
What is the InChIKey of N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide?
The InChIKey is UMLQRDWXSLNNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-13(28)25-22-18-10-16(14-5-7-17(23)8-6-14)11-19(29-2)20(18)26-21(27-22)15-4-3-9-24-12-15/h3-12H,1-2H3,(H,25,26,27,28).
What are the key properties of N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide?
N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]acetamide is sourced from PubChem (CID 71179930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).