N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide

C22H23FN4O3 — CID 68601586

IUPACN-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(OCCN2CCOCC2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C22H23FN4O3/c1-15(28)24-22-25-20-7-4-17(16-2-5-18(23)6-3-16)14-19(20)21(26-22)30-13-10-27-8-11-29-12-9-27/h2-7,14H,8-13H2,1H3,(H,24,25,26,28)
InChIKeyMCESMBAZZXTDIX-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.11
Rot. Bonds6

About N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide

N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide (PubChem CID 68601586) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
PubChem CID68601586
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(OCCN2CCOCC2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C22H23FN4O3/c1-15(28)24-22-25-20-7-4-17(16-2-5-18(23)6-3-16)14-19(20)21(26-22)30-13-10-27-8-11-29-12-9-27/h2-7,14H,8-13H2,1H3,(H,24,25,26,28)
InChIKeyMCESMBAZZXTDIX-UHFFFAOYSA-N
XLogP3.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide (CID 68601586) is N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide is CC(=O)Nc1nc(OCCN2CCOCC2)c2cc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide?
The InChIKey is MCESMBAZZXTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-15(28)24-22-25-20-7-4-17(16-2-5-18(23)6-3-16)14-19(20)21(26-22)30-13-10-27-8-11-29-12-9-27/h2-7,14H,8-13H2,1H3,(H,24,25,26,28).
What are the key properties of N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide?
N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide is sourced from PubChem (CID 68601586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).