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

C19H19FN4O2 — CID 135808434

IUPAC2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19FN4O2/c1-2-24(12-18(25)22-16-10-6-4-8-14(16)20)11-17-21-15-9-5-3-7-13(15)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyXFRGNXDMPYDQSI-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.52
Rot. Bonds6

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

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide (PubChem CID 135808434) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
PubChem CID135808434
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19FN4O2/c1-2-24(12-18(25)22-16-10-6-4-8-14(16)20)11-17-21-15-9-5-3-7-13(15)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyXFRGNXDMPYDQSI-UHFFFAOYSA-N
XLogP2.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.52
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-(2,3,4-trifluorophenyl)acetamide
CID 135516424
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 135808390
N-(2,4-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808404
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
N-(2-bromo-4-nitrophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135543316
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135809212
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 135729541
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135848614
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808460
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 135808200

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide (CID 135808434) is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide is CCN(CC(=O)Nc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is XFRGNXDMPYDQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-2-24(12-18(25)22-16-10-6-4-8-14(16)20)11-17-21-15-9-5-3-7-13(15)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide?
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 135808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).