2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one

C18H18FN3O — CID 135756515

IUPAC2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18FN3O/c1-2-22(11-13-6-5-7-14(19)10-13)12-17-20-16-9-4-3-8-15(16)18(23)21-17/h3-10H,2,11-12H2,1H3,(H,20,21,23)
InChIKeyRXPBXZMREKNKKP-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.08
Rot. Bonds5

About 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one

2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135756515) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135756515
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18FN3O/c1-2-22(11-13-6-5-7-14(19)10-13)12-17-20-16-9-4-3-8-15(16)18(23)21-17/h3-10H,2,11-12H2,1H3,(H,20,21,23)
InChIKeyRXPBXZMREKNKKP-UHFFFAOYSA-N
XLogP3.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
2-[1-[(3-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 136952627
2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135848546
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[(3-chloro-1-benzothiophen-2-yl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135777061
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
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 135756515) is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one is CCN(Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is RXPBXZMREKNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-2-22(11-13-6-5-7-14(19)10-13)12-17-20-16-9-4-3-8-15(16)18(23)21-17/h3-10H,2,11-12H2,1H3,(H,20,21,23).
What are the key properties of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 311.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135756515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).