N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C22H23FN4O3 — CID 43003526

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H23FN4O3/c23-17-7-5-16(6-8-17)20(26-9-11-30-12-10-26)13-24-21(28)14-27-15-25-19-4-2-1-3-18(19)22(27)29/h1-8,15,20H,9-14H2,(H,24,28)
InChIKeyYJXGNYCXJDTEDA-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 43003526) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID43003526
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H23FN4O3/c23-17-7-5-16(6-8-17)20(26-9-11-30-12-10-26)13-24-21(28)14-27-15-25-19-4-2-1-3-18(19)22(27)29/h1-8,15,20H,9-14H2,(H,24,28)
InChIKeyYJXGNYCXJDTEDA-UHFFFAOYSA-N
XLogP1.73
TPSA76.46 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175141
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9400351
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4807578
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
2-(2-fluorophenoxy)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 7833134
3-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxophthalazine-1-carboxamide
CID 31085409
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 31615402

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 43003526) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is YJXGNYCXJDTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-17-7-5-16(6-8-17)20(26-9-11-30-12-10-26)13-24-21(28)14-27-15-25-19-4-2-1-3-18(19)22(27)29/h1-8,15,20H,9-14H2,(H,24,28).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 43003526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).