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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Related Compounds

Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(phenylmethoxy)-
CID 3076002
N-[2-(4-fluorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 2104149
N-(4-acetamidophenyl)-2-quinazolin-4-yloxyacetamide
CID 2379207
1-(4-Methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 2383474
N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide
CID 2383493
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-6-(3-morpholin-4-yl-propoxy)-N*4*-phenyl-quinazoline-2,4-diamine
CID 10255469
6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10343486
N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 11570031
N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 11662906
6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 71663850
N-[[4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]acetamide
CID 163290962
1-(4-(2,4-Dimethylphenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3m)
CID 118796633

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).