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

C18H17FN4O2 — CID 135473828

IUPACN-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17FN4O2/c1-23(11-17(24)21-15-9-5-3-7-13(15)19)10-16-20-14-8-4-2-6-12(14)18(25)22-16/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyGUDMPXRFHXSNIE-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.13
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135473828) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135473828
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17FN4O2/c1-23(11-17(24)21-15-9-5-3-7-13(15)19)10-16-20-14-8-4-2-6-12(14)18(25)22-16/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyGUDMPXRFHXSNIE-UHFFFAOYSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135619644
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 135600528
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 135706234
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135901476
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 135783121
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 135516424
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 135968817

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135473828) is N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is GUDMPXRFHXSNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23(11-17(24)21-15-9-5-3-7-13(15)19)10-16-20-14-8-4-2-6-12(14)18(25)22-16/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135473828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).