2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C20H20FN3O3 — CID 135848546

IUPAC2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H20FN3O3/c1-27-10-9-24(19(25)12-14-5-4-6-15(21)11-14)13-18-22-17-8-3-2-7-16(17)20(26)23-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,23,26)
InChIKeyZIXRBEXQQUUEEY-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.28
Rot. Bonds7

About 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135848546) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135848546
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H20FN3O3/c1-27-10-9-24(19(25)12-14-5-4-6-15(21)11-14)13-18-22-17-8-3-2-7-16(17)20(26)23-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,23,26)
InChIKeyZIXRBEXQQUUEEY-UHFFFAOYSA-N
XLogP2.28
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
2-(2-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722281
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135854773
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135768682
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135722240
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135842963
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 135569898
3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135737950
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135932273
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135848546) is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is ZIXRBEXQQUUEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-27-10-9-24(19(25)12-14-5-4-6-15(21)11-14)13-18-22-17-8-3-2-7-16(17)20(26)23-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,23,26).
What are the key properties of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135848546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).