N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

C20H20FN3O3 — CID 167848621

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCOCc1ccc(CNC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C20H20FN3O3/c1-2-27-12-15-5-3-14(4-6-15)10-22-19(25)11-24-13-23-18-9-16(21)7-8-17(18)20(24)26/h3-9,13H,2,10-12H2,1H3,(H,22,25)
InChIKeyGIZYLFDQTABRHB-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.39
Rot. Bonds7

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 167848621) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID167848621
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCOCc1ccc(CNC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C20H20FN3O3/c1-2-27-12-15-5-3-14(4-6-15)10-22-19(25)11-24-13-23-18-9-16(21)7-8-17(18)20(24)26/h3-9,13H,2,10-12H2,1H3,(H,22,25)
InChIKeyGIZYLFDQTABRHB-UHFFFAOYSA-N
XLogP2.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743883
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
N-[(4-chlorophenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2084381

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 167848621) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is CCOCc1ccc(CNC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is GIZYLFDQTABRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-2-27-12-15-5-3-14(4-6-15)10-22-19(25)11-24-13-23-18-9-16(21)7-8-17(18)20(24)26/h3-9,13H,2,10-12H2,1H3,(H,22,25).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 167848621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).