2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide

C22H18FN5O2 — CID 71180919

IUPAC2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide
SMILESCCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc(F)c3C(N)=O)c2c1
InChIInChI=1S/C22H18FN5O2/c1-2-30-14-8-9-17-15(11-14)22(28-21(26-17)13-5-4-10-25-12-13)27-18-7-3-6-16(23)19(18)20(24)29/h3-12H,2H2,1H3,(H2,24,29)(H,26,27,28)
InChIKeyLCJJOIMEFTWMJN-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.07
Rot. Bonds6

About 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide

2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide (PubChem CID 71180919) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide
PubChem CID71180919
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide
SMILESCCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc(F)c3C(N)=O)c2c1
InChIInChI=1S/C22H18FN5O2/c1-2-30-14-8-9-17-15(11-14)22(28-21(26-17)13-5-4-10-25-12-13)27-18-7-3-6-16(23)19(18)20(24)29/h3-12H,2H2,1H3,(H2,24,29)(H,26,27,28)
InChIKeyLCJJOIMEFTWMJN-UHFFFAOYSA-N
XLogP4.07
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide?
The IUPAC name of 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide (CID 71180919) is 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide?
The canonical SMILES for 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide is CCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc(F)c3C(N)=O)c2c1.
What is the InChIKey of 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide?
The InChIKey is LCJJOIMEFTWMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-2-30-14-8-9-17-15(11-14)22(28-21(26-17)13-5-4-10-25-12-13)27-18-7-3-6-16(23)19(18)20(24)29/h3-12H,2H2,1H3,(H2,24,29)(H,26,27,28).
What are the key properties of 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide?
2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide has a molecular weight of 403.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-6-fluorobenzamide is sourced from PubChem (CID 71180919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).