N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide

C20H17FN4O2 — CID 47047399

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H17FN4O2/c1-2-24(11-15-8-7-14(10-22)9-17(15)21)19(26)12-25-13-23-18-6-4-3-5-16(18)20(25)27/h3-9,13H,2,11-12H2,1H3
InChIKeyKPGZLLOWFYGJFD-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.46
Rot. Bonds5

About N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide

N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 47047399) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID47047399
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H17FN4O2/c1-2-24(11-15-8-7-14(10-22)9-17(15)21)19(26)12-25-13-23-18-6-4-3-5-16(18)20(25)27/h3-9,13H,2,11-12H2,1H3
InChIKeyKPGZLLOWFYGJFD-UHFFFAOYSA-N
XLogP2.46
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 60513726
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 86890740
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51215358
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 47047399) is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is CCN(Cc1ccc(C#N)cc1F)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KPGZLLOWFYGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-2-24(11-15-8-7-14(10-22)9-17(15)21)19(26)12-25-13-23-18-6-4-3-5-16(18)20(25)27/h3-9,13H,2,11-12H2,1H3.
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 47047399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).